1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine

C14H21NO2S — CID 70997020

IUPAC1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1(CS(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C14H21NO2S/c1-15-14(10-6-3-7-11-14)12-18(16,17)13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyQKSNKAZLDPVYSI-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.38
Rot. Bonds4

About 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine

1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 70997020) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine
PubChem CID70997020
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1(CS(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C14H21NO2S/c1-15-14(10-6-3-7-11-14)12-18(16,17)13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyQKSNKAZLDPVYSI-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine (CID 70997020) is 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine is CNC1(CS(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is QKSNKAZLDPVYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15-14(10-6-3-7-11-14)12-18(16,17)13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3.
What are the key properties of 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine?
1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 70997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).