3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one

C9H14N2O2S — CID 164644753

IUPAC3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one
SMILESCC(O)C(C)Sc1cc[nH]c(=O)c1N
InChIInChI=1S/C9H14N2O2S/c1-5(12)6(2)14-7-3-4-11-9(13)8(7)10/h3-6,12H,10H2,1-2H3,(H,11,13)
InChIKeyFWJPIRIFQRTDGN-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.82
Rot. Bonds3

About 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one

3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one (PubChem CID 164644753) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one
PubChem CID164644753
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one
SMILESCC(O)C(C)Sc1cc[nH]c(=O)c1N
InChIInChI=1S/C9H14N2O2S/c1-5(12)6(2)14-7-3-4-11-9(13)8(7)10/h3-6,12H,10H2,1-2H3,(H,11,13)
InChIKeyFWJPIRIFQRTDGN-UHFFFAOYSA-N
XLogP0.82
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one (CID 164644753) is 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one is CC(O)C(C)Sc1cc[nH]c(=O)c1N.
What is the InChIKey of 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one?
The InChIKey is FWJPIRIFQRTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(12)6(2)14-7-3-4-11-9(13)8(7)10/h3-6,12H,10H2,1-2H3,(H,11,13).
What are the key properties of 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one?
3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one is sourced from PubChem (CID 164644753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).