3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide

C8H13N3O3S — CID 138585348

IUPAC3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide
SMILESNc1cccn(CCCS(N)(=O)=O)c1=O
InChIInChI=1S/C8H13N3O3S/c9-7-3-1-4-11(8(7)12)5-2-6-15(10,13)14/h1,3-4H,2,5-6,9H2,(H2,10,13,14)
InChIKeyWAVHTQPYCWTSJZ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.89
Rot. Bonds4

About 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide

3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide (PubChem CID 138585348) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide
PubChem CID138585348
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide
SMILESNc1cccn(CCCS(N)(=O)=O)c1=O
InChIInChI=1S/C8H13N3O3S/c9-7-3-1-4-11(8(7)12)5-2-6-15(10,13)14/h1,3-4H,2,5-6,9H2,(H2,10,13,14)
InChIKeyWAVHTQPYCWTSJZ-UHFFFAOYSA-N
XLogP-0.89
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide (CID 138585348) is 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide is Nc1cccn(CCCS(N)(=O)=O)c1=O.
What is the InChIKey of 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide?
The InChIKey is WAVHTQPYCWTSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c9-7-3-1-4-11(8(7)12)5-2-6-15(10,13)14/h1,3-4H,2,5-6,9H2,(H2,10,13,14).
What are the key properties of 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide?
3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 138585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).