4-pyridin-2-ylsulfanylpentan-2-one

C10H13NOS — CID 64727463

IUPAC4-pyridin-2-ylsulfanylpentan-2-one
SMILESCC(=O)CC(C)Sc1ccccn1
InChIInChI=1S/C10H13NOS/c1-8(12)7-9(2)13-10-5-3-4-6-11-10/h3-6,9H,7H2,1-2H3
InChIKeyGAPMVENWHNYDAS-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.54
Rot. Bonds4

About 4-pyridin-2-ylsulfanylpentan-2-one

4-pyridin-2-ylsulfanylpentan-2-one (PubChem CID 64727463) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-pyridin-2-ylsulfanylpentan-2-one.

Molecular Properties

Compound Name4-pyridin-2-ylsulfanylpentan-2-one
PubChem CID64727463
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4-pyridin-2-ylsulfanylpentan-2-one
SMILESCC(=O)CC(C)Sc1ccccn1
InChIInChI=1S/C10H13NOS/c1-8(12)7-9(2)13-10-5-3-4-6-11-10/h3-6,9H,7H2,1-2H3
InChIKeyGAPMVENWHNYDAS-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrimidin-2-ylsulfanylpentan-2-one
CID 64725871
4-[(5-bromo-2-pyridinyl)sulfanyl]pentan-2-one
CID 64726478
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
3-phenyl-3-(2-pyridin-2-ylsulfanylpropanoylamino)propanoic acid
CID 53215548
2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylsulfanylpentan-2-one?
The IUPAC name of 4-pyridin-2-ylsulfanylpentan-2-one (CID 64727463) is 4-pyridin-2-ylsulfanylpentan-2-one.
What is the SMILES notation for 4-pyridin-2-ylsulfanylpentan-2-one?
The canonical SMILES for 4-pyridin-2-ylsulfanylpentan-2-one is CC(=O)CC(C)Sc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylsulfanylpentan-2-one?
The InChIKey is GAPMVENWHNYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(12)7-9(2)13-10-5-3-4-6-11-10/h3-6,9H,7H2,1-2H3.
What are the key properties of 4-pyridin-2-ylsulfanylpentan-2-one?
4-pyridin-2-ylsulfanylpentan-2-one has a molecular weight of 195.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylsulfanylpentan-2-one is sourced from PubChem (CID 64727463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).