benzyl N-(butan-2-ylsulfamoyl)carbamate

C12H18N2O4S — CID 176960952

IUPACbenzyl N-(butan-2-ylsulfamoyl)carbamate
SMILESCCC(C)NS(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-3-10(2)13-19(16,17)14-12(15)18-9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15)
InChIKeyMGCWQQMQERGUBR-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.55
Rot. Bonds6

About benzyl N-(butan-2-ylsulfamoyl)carbamate

benzyl N-(butan-2-ylsulfamoyl)carbamate (PubChem CID 176960952) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is benzyl N-(butan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(butan-2-ylsulfamoyl)carbamate
PubChem CID176960952
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namebenzyl N-(butan-2-ylsulfamoyl)carbamate
SMILESCCC(C)NS(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-3-10(2)13-19(16,17)14-12(15)18-9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15)
InChIKeyMGCWQQMQERGUBR-UHFFFAOYSA-N
XLogP1.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

triethyl(phenylmethoxycarbonylsulfamoyl)azanium
CID 11301482
benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate
CID 122179860
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
CID 86617683
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl 3,4-dimethylhexanoate
CID 123356915

Frequently Asked Questions

What is the IUPAC name of benzyl N-(butan-2-ylsulfamoyl)carbamate?
The IUPAC name of benzyl N-(butan-2-ylsulfamoyl)carbamate (CID 176960952) is benzyl N-(butan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for benzyl N-(butan-2-ylsulfamoyl)carbamate?
The canonical SMILES for benzyl N-(butan-2-ylsulfamoyl)carbamate is CCC(C)NS(=O)(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(butan-2-ylsulfamoyl)carbamate?
The InChIKey is MGCWQQMQERGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-10(2)13-19(16,17)14-12(15)18-9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15).
What are the key properties of benzyl N-(butan-2-ylsulfamoyl)carbamate?
benzyl N-(butan-2-ylsulfamoyl)carbamate has a molecular weight of 286.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(butan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 176960952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).