2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone

C11H15NOS — CID 65138190

IUPAC2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
SMILESCC(C)CSCC(=O)c1cccnc1
InChIInChI=1S/C11H15NOS/c1-9(2)7-14-8-11(13)10-4-3-5-12-6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyGBNUVURTEYTAQK-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.65
Rot. Bonds5

About 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone

2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone (PubChem CID 65138190) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
PubChem CID65138190
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
SMILESCC(C)CSCC(=O)c1cccnc1
InChIInChI=1S/C11H15NOS/c1-9(2)7-14-8-11(13)10-4-3-5-12-6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyGBNUVURTEYTAQK-UHFFFAOYSA-N
XLogP2.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylsulfanyl)-1-pyrimidin-5-ylethanone
CID 65138403
2-tert-butylsulfanyl-1-pyridin-3-ylethanone
CID 65133934
2-(2-methylpropylsulfanyl)-1-pyrazin-2-ylethanone
CID 65135320
1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412794
CID 172748531
CID 172748531
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
2-acetamido-3-(4-oxo-4-pyridin-3-ylbutan-2-yl)sulfanylpropanoic acid
CID 71340844
1-pyridin-3-ylpentan-1-one
CID 12648543
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
acetic acid;3-(2-methylpropylsulfanyl)pyridine
CID 174761350
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone (CID 65138190) is 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone is CC(C)CSCC(=O)c1cccnc1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone?
The InChIKey is GBNUVURTEYTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(2)7-14-8-11(13)10-4-3-5-12-6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone?
2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone has a molecular weight of 209.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 65138190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).