3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

C15H20N2O5S — CID 45176869

IUPAC3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C15H20N2O5S/c1-16(2)23(19,20)17-7-3-4-12(9-17)15(18)11-5-6-13-14(8-11)22-10-21-13/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyXSNMULYSWRUTNX-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.12
Rot. Bonds4

About 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 45176869) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID45176869
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C15H20N2O5S/c1-16(2)23(19,20)17-7-3-4-12(9-17)15(18)11-5-6-13-14(8-11)22-10-21-13/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyXSNMULYSWRUTNX-UHFFFAOYSA-N
XLogP1.12
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
CID 42147863
methyl 4-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-4-oxobutanoate
CID 42193338
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3R)-N-(1,3-benzodioxol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447151
1-[2-(1,3-benzodioxole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 82121597
1,3-benzodioxol-5-yl-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanone
CID 45210836
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95559675
1,3-benzodioxol-5-yl-[(3R)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 42508881
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 45176869) is 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(C(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is XSNMULYSWRUTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16(2)23(19,20)17-7-3-4-12(9-17)15(18)11-5-6-13-14(8-11)22-10-21-13/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 340.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 45176869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).