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

C14H22N2O2S — CID 124515702

IUPAC2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCN[C@@H]2C)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-14(11(2)9-10)19(17,18)16-13-5-4-8-15-12(13)3/h6-7,9,12-13,15-16H,4-5,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyKYZNYRGCPAPKPY-CHWSQXEVSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds3

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

2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide (PubChem CID 124515702) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
PubChem CID124515702
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCN[C@@H]2C)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-14(11(2)9-10)19(17,18)16-13-5-4-8-15-12(13)3/h6-7,9,12-13,15-16H,4-5,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyKYZNYRGCPAPKPY-CHWSQXEVSA-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

methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726210
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
2,3-dimethyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzenesulfonamide
CID 120726595
2-methoxy-4,6-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726218

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide (CID 124515702) is 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCN[C@@H]2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide?
The InChIKey is KYZNYRGCPAPKPY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-6-7-14(11(2)9-10)19(17,18)16-13-5-4-8-15-12(13)3/h6-7,9,12-13,15-16H,4-5,8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide?
2,4-dimethyl-N-[(2R,3R)-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 2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 124515702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).