Name: t-Butyl(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamate
SKU: 630421-48-6

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Basic Information

Molecular Structure:
CAS No.:	630421-48-6
Name:	t-Butyl(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamate

Formula:	C₁₄H₂₂N₂O₅S
Molecular Weight:	330.405
Synonyms:	tert-Butyl N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamate;
Density:	1.299 g/cm³
PSA:	116.93000
LogP:	3.18970

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Specification

The Carbamic acid,[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-,1,1-dimethylethyl ester, with the CAS registry number 630421-48-6, is also known as N-[(1R,2S)-1-[[(Cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₄H₂₂N₂O₅S and molecular weight is 330.3999. What's more, its systematic name is tert-Butyl N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamate.

Physical properties about Carbamic acid,[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-,1,1-dimethylethyl ester: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7.893; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 109.95 Å²; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 80.619 cm³; (13)Molar Volume: 254.357 cm³; (14)Surface Tension: 49.974 dyne/cm; (15)Density: 1.299 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C2CC2
(2) InChI: InChI=1/C14H22N2O5S/c1-5-9-8-14(9,15-12(18)21-13(2,3)4)11(17)16-22(19,20)10-6-7-10/h5,9-10H,1,6-8H2,2-4H3,(H,15,18)(H,16,17)/t9-,14-/m1/s1
(3) InChIKey: MEUACYDRISHUAQ-YMTOWFKABD