6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride

C14H21ClN2O4S — CID 120876388

IUPAC6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCc1cc2c(cc1S(=O)(=O)NC1CNCCC1C)OCO2.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-9-3-4-15-7-11(9)16-21(17,18)14-6-13-12(5-10(14)2)19-8-20-13;/h5-6,9,11,15-16H,3-4,7-8H2,1-2H3;1H
InChIKeyHPQQDWWINUWCEF-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.42
Rot. Bonds3

About 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride

6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride (PubChem CID 120876388) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
PubChem CID120876388
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCc1cc2c(cc1S(=O)(=O)NC1CNCCC1C)OCO2.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-9-3-4-15-7-11(9)16-21(17,18)14-6-13-12(5-10(14)2)19-8-20-13;/h5-6,9,11,15-16H,3-4,7-8H2,1-2H3;1H
InChIKeyHPQQDWWINUWCEF-UHFFFAOYSA-N
XLogP1.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
CID 120723047
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714
5-bromo-2-methoxy-4-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722535
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 120999726
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide
CID 120723093
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The IUPAC name of 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride (CID 120876388) is 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The canonical SMILES for 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride is Cc1cc2c(cc1S(=O)(=O)NC1CNCCC1C)OCO2.Cl.
What is the InChIKey of 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The InChIKey is HPQQDWWINUWCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S.ClH/c1-9-3-4-15-7-11(9)16-21(17,18)14-6-13-12(5-10(14)2)19-8-20-13;/h5-6,9,11,15-16H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120876388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).