3-amino-4-sulfonyl-1H-pyridin-2-one

C5H6N2O3S — CID 91380835

IUPAC3-amino-4-sulfonyl-1H-pyridin-2-one
SMILESNC1C(=O)NC=CC1=S(=O)=O
InChIInChI=1S/C5H6N2O3S/c6-4-3(11(9)10)1-2-7-5(4)8/h1-2,4H,6H2,(H,7,8)
InChIKeyXHKZPIZDPWCYGE-UHFFFAOYSA-N
MW174.18 g/mol
LogP-1.99
Rot. Bonds

About 3-amino-4-sulfonyl-1H-pyridin-2-one

3-amino-4-sulfonyl-1H-pyridin-2-one (PubChem CID 91380835) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 3-amino-4-sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-sulfonyl-1H-pyridin-2-one
PubChem CID91380835
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name3-amino-4-sulfonyl-1H-pyridin-2-one
SMILESNC1C(=O)NC=CC1=S(=O)=O
InChIInChI=1S/C5H6N2O3S/c6-4-3(11(9)10)1-2-7-5(4)8/h1-2,4H,6H2,(H,7,8)
InChIKeyXHKZPIZDPWCYGE-UHFFFAOYSA-N
XLogP-1.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-1,3-dihydropyrrol-2-one
CID 154264862
3-chloro-1H-pyridine-2,4-dione
CID 71650938
(5R)-5-amino-1H-pyrimidine-4,6-dione
CID 98071290
6-sulfonylcyclohexa-2,4-dien-1-amine
CID 87974308
4-aminopyrazolidine-3,5-dione
CID 82647065
1,5-dihydro-1,5-diazocine-2,6-dione
CID 71376185
4-amino-1,2-oxazolidin-3-one
CID 401
4-amino-1,2-oxazolidin-3-one
CID 22411006
2-bromo-2,4-dihydro-1H-pyrazin-3-one
CID 174901121
6-sulfonylcyclohexa-2,4-diene-1-carboxylic acid
CID 87282734
3-benzyl-1H-pyridine-2,4-dione
CID 70180981
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-sulfonyl-1H-pyridin-2-one (CID 91380835) is 3-amino-4-sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-sulfonyl-1H-pyridin-2-one is NC1C(=O)NC=CC1=S(=O)=O.
What is the InChIKey of 3-amino-4-sulfonyl-1H-pyridin-2-one?
The InChIKey is XHKZPIZDPWCYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-4-3(11(9)10)1-2-7-5(4)8/h1-2,4H,6H2,(H,7,8).
What are the key properties of 3-amino-4-sulfonyl-1H-pyridin-2-one?
3-amino-4-sulfonyl-1H-pyridin-2-one has a molecular weight of 174.18 g/mol, XLogP of -1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 91380835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).