6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide

C14H20N2O4S — CID 120876654

IUPAC6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCNC1C)OCO2
InChIInChI=1S/C14H20N2O4S/c1-9-6-12-13(20-8-19-12)7-14(9)21(17,18)16-11-4-3-5-15-10(11)2/h6-7,10-11,15-16H,3-5,8H2,1-2H3
InChIKeyPKBNLIYUHLRNQI-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.14
Rot. Bonds3

About 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide

6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 120876654) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
PubChem CID120876654
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCNC1C)OCO2
InChIInChI=1S/C14H20N2O4S/c1-9-6-12-13(20-8-19-12)7-14(9)21(17,18)16-11-4-3-5-15-10(11)2/h6-7,10-11,15-16H,3-5,8H2,1-2H3
InChIKeyPKBNLIYUHLRNQI-UHFFFAOYSA-N
XLogP1.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120726236
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
2,3-dimethyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzenesulfonamide
CID 120726595
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
5-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120726639
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide (CID 120876654) is 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC1CCCNC1C)OCO2.
What is the InChIKey of 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is PKBNLIYUHLRNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-6-12-13(20-8-19-12)7-14(9)21(17,18)16-11-4-3-5-15-10(11)2/h6-7,10-11,15-16H,3-5,8H2,1-2H3.
What are the key properties of 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide?
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 120876654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).