N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H23N3O4S — CID 60960188

IUPACN-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(CCCN(C)C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H23N3O4S/c1-15(2)7-4-8-16(9-10-20-3)21(18,19)12-5-6-13(17)14-11-12/h5-6,11H,4,7-10H2,1-3H3,(H,14,17)
InChIKeyUWWGAXIWUKZRKP-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.04
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 60960188) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID60960188
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(CCCN(C)C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H23N3O4S/c1-15(2)7-4-8-16(9-10-20-3)21(18,19)12-5-6-13(17)14-11-12/h5-6,11H,4,7-10H2,1-3H3,(H,14,17)
InChIKeyUWWGAXIWUKZRKP-UHFFFAOYSA-N
XLogP-0.04
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 60960188) is N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is COCCN(CCCN(C)C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is UWWGAXIWUKZRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-15(2)7-4-8-16(9-10-20-3)21(18,19)12-5-6-13(17)14-11-12/h5-6,11H,4,7-10H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of -0.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60960188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).