3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide

C14H22N2O2S — CID 63329350

IUPAC3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CNCCC2C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-10-4-5-13(8-12(10)3)19(17,18)16-14-9-15-7-6-11(14)2/h4-5,8,11,14-16H,6-7,9H2,1-3H3
InChIKeyRTISCTLDGVZMAT-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds3

About 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide

3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 63329350) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID63329350
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CNCCC2C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-10-4-5-13(8-12(10)3)19(17,18)16-14-9-15-7-6-11(14)2/h4-5,8,11,14-16H,6-7,9H2,1-3H3
InChIKeyRTISCTLDGVZMAT-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide (CID 63329350) is 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CNCCC2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is RTISCTLDGVZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-4-5-13(8-12(10)3)19(17,18)16-14-9-15-7-6-11(14)2/h4-5,8,11,14-16H,6-7,9H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 63329350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).