1-(5-propylsulfanyl-2-pyridinyl)propan-1-one

C11H15NOS — CID 112583931

IUPAC1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
SMILESCCCSc1ccc(C(=O)CC)nc1
InChIInChI=1S/C11H15NOS/c1-3-7-14-9-5-6-10(12-8-9)11(13)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyJNHIMNARCYDOJW-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.18
Rot. Bonds5

About 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one

1-(5-propylsulfanyl-2-pyridinyl)propan-1-one (PubChem CID 112583931) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
PubChem CID112583931
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
SMILESCCCSc1ccc(C(=O)CC)nc1
InChIInChI=1S/C11H15NOS/c1-3-7-14-9-5-6-10(12-8-9)11(13)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyJNHIMNARCYDOJW-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
CID 112584005
1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
1-(5-pentylsulfanyl-2-pyridinyl)ethanone
CID 107750438
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 112583937
1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112583940
4-(5-tert-butylsulfanyl-2-pyridinyl)-4-oxobutanoic acid
CID 158861736
CID 89241370
CID 89241370
6-[(6-propanoyl-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 115938818

Frequently Asked Questions

What is the IUPAC name of 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one (CID 112583931) is 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one is CCCSc1ccc(C(=O)CC)nc1.
What is the InChIKey of 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one?
The InChIKey is JNHIMNARCYDOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-7-14-9-5-6-10(12-8-9)11(13)4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one?
1-(5-propylsulfanyl-2-pyridinyl)propan-1-one has a molecular weight of 209.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propylsulfanyl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 112583931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).