[1-(phenoxymethyl)cyclohexyl]methanesulfonamide

C14H21NO3S — CID 65006602

IUPAC[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2ccccc2)CCCCC1
InChIInChI=1S/C14H21NO3S/c15-19(16,17)12-14(9-5-2-6-10-14)11-18-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,15,16,17)
InChIKeyKOQCXXIXJDXSAT-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.30
Rot. Bonds5

About [1-(phenoxymethyl)cyclohexyl]methanesulfonamide

[1-(phenoxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 65006602) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [1-(phenoxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
PubChem CID65006602
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2ccccc2)CCCCC1
InChIInChI=1S/C14H21NO3S/c15-19(16,17)12-14(9-5-2-6-10-14)11-18-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,15,16,17)
InChIKeyKOQCXXIXJDXSAT-UHFFFAOYSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(phenoxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of [1-(phenoxymethyl)cyclohexyl]methanesulfonamide (CID 65006602) is [1-(phenoxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-(phenoxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-(phenoxymethyl)cyclohexyl]methanesulfonamide is NS(=O)(=O)CC1(COc2ccccc2)CCCCC1.
What is the InChIKey of [1-(phenoxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is KOQCXXIXJDXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c15-19(16,17)12-14(9-5-2-6-10-14)11-18-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,15,16,17).
What are the key properties of [1-(phenoxymethyl)cyclohexyl]methanesulfonamide?
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenoxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 65006602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).