N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide

C14H20N2O4S — CID 120999726

IUPACN,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)N(C)C1CCNCC1)OCO2
InChIInChI=1S/C14H20N2O4S/c1-10-7-12-13(20-9-19-12)8-14(10)21(17,18)16(2)11-3-5-15-6-4-11/h7-8,11,15H,3-6,9H2,1-2H3
InChIKeyQQGKDFKPFAQSSO-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.10
Rot. Bonds3

About N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide

N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide (PubChem CID 120999726) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
PubChem CID120999726
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)N(C)C1CCNCC1)OCO2
InChIInChI=1S/C14H20N2O4S/c1-10-7-12-13(20-9-19-12)8-14(10)21(17,18)16(2)11-3-5-15-6-4-11/h7-8,11,15H,3-6,9H2,1-2H3
InChIKeyQQGKDFKPFAQSSO-UHFFFAOYSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119965607
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
CID 115119146
2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
CID 119966041

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide (CID 120999726) is N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide is Cc1cc2c(cc1S(=O)(=O)N(C)C1CCNCC1)OCO2.
What is the InChIKey of N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is QQGKDFKPFAQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-7-12-13(20-9-19-12)8-14(10)21(17,18)16(2)11-3-5-15-6-4-11/h7-8,11,15H,3-6,9H2,1-2H3.
What are the key properties of N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 120999726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).