5-tert-butylsulfanyl-1H-pyridin-2-one

C9H13NOS — CID 102546857

IUPAC5-tert-butylsulfanyl-1H-pyridin-2-one
SMILESCC(C)(C)Sc1ccc(=O)[nH]c1
InChIInChI=1S/C9H13NOS/c1-9(2,3)12-7-4-5-8(11)10-6-7/h4-6H,1-3H3,(H,10,11)
InChIKeyUZGDFPCVPWRIJW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.27
Rot. Bonds1

About 5-tert-butylsulfanyl-1H-pyridin-2-one

5-tert-butylsulfanyl-1H-pyridin-2-one (PubChem CID 102546857) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-tert-butylsulfanyl-1H-pyridin-2-one
PubChem CID102546857
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5-tert-butylsulfanyl-1H-pyridin-2-one
SMILESCC(C)(C)Sc1ccc(=O)[nH]c1
InChIInChI=1S/C9H13NOS/c1-9(2,3)12-7-4-5-8(11)10-6-7/h4-6H,1-3H3,(H,10,11)
InChIKeyUZGDFPCVPWRIJW-UHFFFAOYSA-N
XLogP2.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(tert-butylsulfanyl)benzene
CID 784937
CID 89269272
CID 89269272
ethane;bis(5-methyl-1H-pyridin-2-one)
CID 160548099
5-tert-butylsulfanyl-3-methyl-1H-pyridine-2-thione
CID 102544997
(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide
CID 87870630
5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
5-(methylsulfanylmethyl)-1H-pyridin-2-one
CID 143124265
ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
CID 171659448
6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
2,7-bis(4-tert-butylsulfanylphenyl)fluoren-9-one
CID 102324801
CID 45276953
CID 45276953
5-(methylamino)-1H-pyridin-2-one;hydrochloride
CID 170916863

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-tert-butylsulfanyl-1H-pyridin-2-one (CID 102546857) is 5-tert-butylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-tert-butylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-tert-butylsulfanyl-1H-pyridin-2-one is CC(C)(C)Sc1ccc(=O)[nH]c1.
What is the InChIKey of 5-tert-butylsulfanyl-1H-pyridin-2-one?
The InChIKey is UZGDFPCVPWRIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2,3)12-7-4-5-8(11)10-6-7/h4-6H,1-3H3,(H,10,11).
What are the key properties of 5-tert-butylsulfanyl-1H-pyridin-2-one?
5-tert-butylsulfanyl-1H-pyridin-2-one has a molecular weight of 183.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 102546857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).