N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide

C15H23NO3S — CID 56787557

IUPACN-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-20(17,18)16-11-13-6-5-7-14(10-13)12-19-15-8-3-2-4-9-15/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
InChIKeyJXTSIUWZAXVTHO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.59
Rot. Bonds6

About N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide

N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide (PubChem CID 56787557) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
PubChem CID56787557
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-20(17,18)16-11-13-6-5-7-14(10-13)12-19-15-8-3-2-4-9-15/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
InChIKeyJXTSIUWZAXVTHO-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide 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

2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde
CID 126676114
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
1-(cyclopentyloxymethyl)-3-cyclopropylbenzene
CID 126674869
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957019
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
[3-(cyclohexyloxymethyl)phenyl]boronic acid
CID 53211400
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 55077909
azane;cyclopentyloxymethylbenzene
CID 69411306

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide (CID 56787557) is N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(COC2CCCCC2)c1.
What is the InChIKey of N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is JXTSIUWZAXVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-20(17,18)16-11-13-6-5-7-14(10-13)12-19-15-8-3-2-4-9-15/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide?
N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 56787557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).