1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C15H23N3O4S — CID 7828944

IUPAC1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H23N3O4S/c1-16(2)23(21,22)13-7-8-14(19)18(11-13)12-15(20)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyIUWHHHJUIUOOGQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 7828944) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID7828944
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H23N3O4S/c1-16(2)23(21,22)13-7-8-14(19)18(11-13)12-15(20)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyIUWHHHJUIUOOGQ-UHFFFAOYSA-N
XLogP0.50
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 42902891
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-phenylacetamide
CID 7828941
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7828878
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N,N-bis(2-methylpropyl)acetamide
CID 7828894
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24530870
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7829056
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 7828901
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
CID 9236283
N,N-dimethyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-sulfonamide
CID 32772373
N,N-dimethyl-1-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-oxopyridine-3-sulfonamide
CID 95264638
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-sulfamoylphenyl)acetamide
CID 38932613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 7828944) is 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCCCC2)c1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is IUWHHHJUIUOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-16(2)23(21,22)13-7-8-14(19)18(11-13)12-15(20)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 7828944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).