1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine

C14H21NO2S — CID 2818768

IUPAC1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-13-6-5-9-15(12-13)10-11-18(16,17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyVUSFUJNWTGIEGZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine

1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine (PubChem CID 2818768) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine
PubChem CID2818768
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-13-6-5-9-15(12-13)10-11-18(16,17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyVUSFUJNWTGIEGZ-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine (CID 2818768) is 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine is CC1CCCN(CCS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine?
The InChIKey is VUSFUJNWTGIEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-13-6-5-9-15(12-13)10-11-18(16,17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine?
1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-3-methylpiperidine is sourced from PubChem (CID 2818768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).