benzyl N-cyclohexylsulfonylcarbamate

C14H19NO4S — CID 122231428

IUPACbenzyl N-cyclohexylsulfonylcarbamate
SMILESO=C(NS(=O)(=O)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C14H19NO4S/c16-14(19-11-12-7-3-1-4-8-12)15-20(17,18)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKeyQTACMVYEBHRSQX-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.58
Rot. Bonds4

About benzyl N-cyclohexylsulfonylcarbamate

benzyl N-cyclohexylsulfonylcarbamate (PubChem CID 122231428) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is benzyl N-cyclohexylsulfonylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclohexylsulfonylcarbamate
PubChem CID122231428
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namebenzyl N-cyclohexylsulfonylcarbamate
SMILESO=C(NS(=O)(=O)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C14H19NO4S/c16-14(19-11-12-7-3-1-4-8-12)15-20(17,18)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKeyQTACMVYEBHRSQX-UHFFFAOYSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
CID 86617683
benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
CID 90593963
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl cyclododecylsulfamoylformate
CID 166991953
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
CID 146024173
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclohexylsulfonylcarbamate?
The IUPAC name of benzyl N-cyclohexylsulfonylcarbamate (CID 122231428) is benzyl N-cyclohexylsulfonylcarbamate.
What is the SMILES notation for benzyl N-cyclohexylsulfonylcarbamate?
The canonical SMILES for benzyl N-cyclohexylsulfonylcarbamate is O=C(NS(=O)(=O)C1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-cyclohexylsulfonylcarbamate?
The InChIKey is QTACMVYEBHRSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(19-11-12-7-3-1-4-8-12)15-20(17,18)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16).
What are the key properties of benzyl N-cyclohexylsulfonylcarbamate?
benzyl N-cyclohexylsulfonylcarbamate has a molecular weight of 297.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclohexylsulfonylcarbamate is sourced from PubChem (CID 122231428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).