3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C13H20N2O2S — CID 79043800

IUPAC3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCNC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-3-6-12(9-10)18(16,17)15-13-7-4-8-14-11(13)2/h3,5-6,9,11,13-15H,4,7-8H2,1-2H3
InChIKeyOYPFHDCQEYMPRI-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.41
Rot. Bonds3

About 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide

3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 79043800) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID79043800
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCNC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-3-6-12(9-10)18(16,17)15-13-7-4-8-14-11(13)2/h3,5-6,9,11,13-15H,4,7-8H2,1-2H3
InChIKeyOYPFHDCQEYMPRI-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 79043800) is 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CCCNC2C)c1.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is OYPFHDCQEYMPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-3-6-12(9-10)18(16,17)15-13-7-4-8-14-11(13)2/h3,5-6,9,11,13-15H,4,7-8H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79043800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).