1-(benzenesulfonyl)-3-methylpiperidine

C12H17NO2S — CID 3132624

IUPAC1-(benzenesulfonyl)-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H17NO2S/c1-11-6-5-9-13(10-11)16(14,15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyYTXPKIULJSHENU-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.11
Rot. Bonds2

About 1-(benzenesulfonyl)-3-methylpiperidine

1-(benzenesulfonyl)-3-methylpiperidine (PubChem CID 3132624) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methylpiperidine
PubChem CID3132624
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(benzenesulfonyl)-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H17NO2S/c1-11-6-5-9-13(10-11)16(14,15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyYTXPKIULJSHENU-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
N,N-Diethylbenzenesulfonamide
CID 74367
1-(Phenylsulfonyl)piperidine
CID 78733
n,n-Dibutylbenzenesulfonamide
CID 220596
1-Phenylmethanesulfonyl-piperidine
CID 273955
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-3-methylpiperidine (CID 3132624) is 1-(benzenesulfonyl)-3-methylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-methylpiperidine is CC1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-methylpiperidine?
The InChIKey is YTXPKIULJSHENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-11-6-5-9-13(10-11)16(14,15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-methylpiperidine?
1-(benzenesulfonyl)-3-methylpiperidine has a molecular weight of 239.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methylpiperidine is sourced from PubChem (CID 3132624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).