3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

C14H22N2O2S — CID 16887449

IUPAC3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-4-3-5-14(10-12)19(17,18)15-11-13-6-8-16(2)9-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyXLTZGBOEWGTYEX-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds4

About 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887449) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887449
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-4-3-5-14(10-12)19(17,18)15-11-13-6-8-16(2)9-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyXLTZGBOEWGTYEX-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468
4-methoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110413945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887449) is 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is XLTZGBOEWGTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-4-3-5-14(10-12)19(17,18)15-11-13-6-8-16(2)9-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).