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

C14H22N2O2S — CID 114700187

IUPAC2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1CCNCC1C
InChIInChI=1S/C14H22N2O2S/c1-11-5-3-4-6-14(11)19(17,18)16-10-13-7-8-15-9-12(13)2/h3-6,12-13,15-16H,7-10H2,1-2H3
InChIKeyXTWWNZFZTILEAW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide

2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 114700187) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID114700187
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1CCNCC1C
InChIInChI=1S/C14H22N2O2S/c1-11-5-3-4-6-14(11)19(17,18)16-10-13-7-8-15-9-12(13)2/h3-6,12-13,15-16H,7-10H2,1-2H3
InChIKeyXTWWNZFZTILEAW-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 114955897
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 71564527
2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
CID 114700166
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
CID 114700170
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107420501
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 91647295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 114700187) is 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1CCNCC1C.
What is the InChIKey of 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is XTWWNZFZTILEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-3-4-6-14(11)19(17,18)16-10-13-7-8-15-9-12(13)2/h3-6,12-13,15-16H,7-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide?
2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 114700187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).