3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C14H22N2O2S — CID 114695181

IUPAC3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NC2CCCNC2C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-7-11(2)9-13(8-10)19(17,18)16-14-5-4-6-15-12(14)3/h7-9,12,14-16H,4-6H2,1-3H3
InChIKeyMUASFOVEMIGNNO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds3

About 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide

3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 114695181) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID114695181
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NC2CCCNC2C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-7-11(2)9-13(8-10)19(17,18)16-14-5-4-6-15-12(14)3/h7-9,12,14-16H,4-6H2,1-3H3
InChIKeyMUASFOVEMIGNNO-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
2-methoxy-4,6-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726218
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
2-chloro-5-methyl-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 120726896

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 114695181) is 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NC2CCCNC2C)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is MUASFOVEMIGNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-11(2)9-13(8-10)19(17,18)16-14-5-4-6-15-12(14)3/h7-9,12,14-16H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).