1-tert-butyl-4-methylsulfanylpyridin-2-one

C10H15NOS — CID 90395512

IUPAC1-tert-butyl-4-methylsulfanylpyridin-2-one
SMILESCSc1ccn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C10H15NOS/c1-10(2,3)11-6-5-8(13-4)7-9(11)12/h5-7H,1-4H3
InChIKeyCTCIWWYITQWKIV-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.33
Rot. Bonds1

About 1-tert-butyl-4-methylsulfanylpyridin-2-one

1-tert-butyl-4-methylsulfanylpyridin-2-one (PubChem CID 90395512) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-tert-butyl-4-methylsulfanylpyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methylsulfanylpyridin-2-one
PubChem CID90395512
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-tert-butyl-4-methylsulfanylpyridin-2-one
SMILESCSc1ccn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C10H15NOS/c1-10(2,3)11-6-5-8(13-4)7-9(11)12/h5-7H,1-4H3
InChIKeyCTCIWWYITQWKIV-UHFFFAOYSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylsulfanylpyridin-2-one?
The IUPAC name of 1-tert-butyl-4-methylsulfanylpyridin-2-one (CID 90395512) is 1-tert-butyl-4-methylsulfanylpyridin-2-one.
What is the SMILES notation for 1-tert-butyl-4-methylsulfanylpyridin-2-one?
The canonical SMILES for 1-tert-butyl-4-methylsulfanylpyridin-2-one is CSc1ccn(C(C)(C)C)c(=O)c1.
What is the InChIKey of 1-tert-butyl-4-methylsulfanylpyridin-2-one?
The InChIKey is CTCIWWYITQWKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)11-6-5-8(13-4)7-9(11)12/h5-7H,1-4H3.
What are the key properties of 1-tert-butyl-4-methylsulfanylpyridin-2-one?
1-tert-butyl-4-methylsulfanylpyridin-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylsulfanylpyridin-2-one is sourced from PubChem (CID 90395512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).