benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate

C15H20ClNO3S — CID 155061465

IUPACbenzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(S(=O)Cl)CC1
InChIInChI=1S/C15H20ClNO3S/c1-17(13-7-9-14(10-8-13)21(16)19)15(18)20-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyQESRGQDUEOXEMM-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.47
Rot. Bonds4

About benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate

benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate (PubChem CID 155061465) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
PubChem CID155061465
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Namebenzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(S(=O)Cl)CC1
InChIInChI=1S/C15H20ClNO3S/c1-17(13-7-9-14(10-8-13)21(16)19)15(18)20-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyQESRGQDUEOXEMM-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate
CID 146598505
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
CID 69198867

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate (CID 155061465) is benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCC(S(=O)Cl)CC1.
What is the InChIKey of benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate?
The InChIKey is QESRGQDUEOXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-17(13-7-9-14(10-8-13)21(16)19)15(18)20-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate?
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate has a molecular weight of 329.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 155061465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).