1-(benzenesulfonyl)-4-methylpiperidine

C12H17NO2S — CID 761422

IUPAC1-(benzenesulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H17NO2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyBKTIHUUUEHVIEQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.11
Rot. Bonds2

About 1-(benzenesulfonyl)-4-methylpiperidine

1-(benzenesulfonyl)-4-methylpiperidine (PubChem CID 761422) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-methylpiperidine
PubChem CID761422
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(benzenesulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H17NO2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyBKTIHUUUEHVIEQ-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

1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(benzenesulfonyl)-3-bromo-4-methylpiperidine
CID 102962655
(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 949390

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-methylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-methylpiperidine (CID 761422) is 1-(benzenesulfonyl)-4-methylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-methylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-methylpiperidine?
The InChIKey is BKTIHUUUEHVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-methylpiperidine?
1-(benzenesulfonyl)-4-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)-4-methylpiperidine is sourced from PubChem (CID 761422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).