benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate

C15H22N2O4S — CID 86617683

IUPACbenzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
SMILESCC1CCC(NS(=O)(=O)NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-12-7-9-14(10-8-12)16-22(19,20)17-15(18)21-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)
InChIKeyLWMDJSIMMUEQEE-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.33
Rot. Bonds5

About benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate

benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate (PubChem CID 86617683) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
PubChem CID86617683
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namebenzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
SMILESCC1CCC(NS(=O)(=O)NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-12-7-9-14(10-8-12)16-22(19,20)17-15(18)21-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)
InChIKeyLWMDJSIMMUEQEE-UHFFFAOYSA-N
XLogP2.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclohexylsulfonylcarbamate
CID 122231428
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
benzyl cyclododecylsulfamoylformate
CID 166991953
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952
[(1R,2R,4S)-4-(dimethylcarbamoyl)-2-(phenylmethoxycarbonylsulfamoylamino)cyclohexyl] methanesulfonate
CID 118661230
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
triethyl(phenylmethoxycarbonylsulfamoyl)azanium
CID 11301482

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate?
The IUPAC name of benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate (CID 86617683) is benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate.
What is the SMILES notation for benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate?
The canonical SMILES for benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate is CC1CCC(NS(=O)(=O)NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate?
The InChIKey is LWMDJSIMMUEQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-7-9-14(10-8-12)16-22(19,20)17-15(18)21-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18).
What are the key properties of benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate?
benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate has a molecular weight of 326.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate is sourced from PubChem (CID 86617683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).