3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide

C15H24N2O2S — CID 62322482

IUPAC3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCC(C)N2)cc1C
InChIInChI=1S/C15H24N2O2S/c1-11-7-8-15(9-12(11)2)20(18,19)16-10-14-6-4-5-13(3)17-14/h7-9,13-14,16-17H,4-6,10H2,1-3H3
InChIKeyCABKMTOAAPJBGR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.11
Rot. Bonds4

About 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide (PubChem CID 62322482) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
PubChem CID62322482
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCC(C)N2)cc1C
InChIInChI=1S/C15H24N2O2S/c1-11-7-8-15(9-12(11)2)20(18,19)16-10-14-6-4-5-13(3)17-14/h7-9,13-14,16-17H,4-6,10H2,1-3H3
InChIKeyCABKMTOAAPJBGR-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 55056998
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
1-cyclopropyl-N-[(6-methylpiperidin-2-yl)methyl]methanesulfonamide
CID 64987711
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 110722347
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
2-methoxy-N-[(6-methylpiperidin-2-yl)methylsulfamoyl]ethanamine
CID 114815014
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 11919981
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide (CID 62322482) is 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCCC(C)N2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is CABKMTOAAPJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-7-8-15(9-12(11)2)20(18,19)16-10-14-6-4-5-13(3)17-14/h7-9,13-14,16-17H,4-6,10H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62322482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).