6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide

C15H22N2O4S — CID 120874806

IUPAC6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC(C)C1CCCNC1)OCO2
InChIInChI=1S/C15H22N2O4S/c1-10-6-13-14(21-9-20-13)7-15(10)22(18,19)17-11(2)12-4-3-5-16-8-12/h6-7,11-12,16-17H,3-5,8-9H2,1-2H3
InChIKeyMLAVTYIKJQNJHN-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.39
Rot. Bonds4

About 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide

6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 120874806) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID120874806
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC(C)C1CCCNC1)OCO2
InChIInChI=1S/C15H22N2O4S/c1-10-6-13-14(21-9-20-13)7-15(10)22(18,19)17-11(2)12-4-3-5-16-8-12/h6-7,11-12,16-17H,3-5,8-9H2,1-2H3
InChIKeyMLAVTYIKJQNJHN-UHFFFAOYSA-N
XLogP1.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide (CID 120874806) is 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC(C)C1CCCNC1)OCO2.
What is the InChIKey of 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is MLAVTYIKJQNJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-6-13-14(21-9-20-13)7-15(10)22(18,19)17-11(2)12-4-3-5-16-8-12/h6-7,11-12,16-17H,3-5,8-9H2,1-2H3.
What are the key properties of 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 120874806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).