1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one

C8H14N2OS — CID 123886355

IUPAC1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one
SMILESCS(C)(C)c1ccn(N)c(=O)c1
InChIInChI=1S/C8H14N2OS/c1-12(2,3)7-4-5-10(9)8(11)6-7/h4-6H,9H2,1-3H3
InChIKeySCQACSZYFWAZDU-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.62
Rot. Bonds1

About 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one

1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one (PubChem CID 123886355) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one.

Molecular Properties

Compound Name1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one
PubChem CID123886355
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one
SMILESCS(C)(C)c1ccn(N)c(=O)c1
InChIInChI=1S/C8H14N2OS/c1-12(2,3)7-4-5-10(9)8(11)6-7/h4-6H,9H2,1-3H3
InChIKeySCQACSZYFWAZDU-UHFFFAOYSA-N
XLogP0.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one?
The IUPAC name of 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one (CID 123886355) is 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one.
What is the SMILES notation for 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one?
The canonical SMILES for 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one is CS(C)(C)c1ccn(N)c(=O)c1.
What is the InChIKey of 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one?
The InChIKey is SCQACSZYFWAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-12(2,3)7-4-5-10(9)8(11)6-7/h4-6H,9H2,1-3H3.
What are the key properties of 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one?
1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one has a molecular weight of 186.28 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(trimethyl-λ4-sulfanyl)pyridin-2-one is sourced from PubChem (CID 123886355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).