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

C14H13NOS — CID 112583933

IUPAC1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(Sc2ccccc2)cn1
InChIInChI=1S/C14H13NOS/c1-2-14(16)13-9-8-12(10-15-13)17-11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyNHTJSRFMNKPQFQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.83
Rot. Bonds4

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

1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one (PubChem CID 112583933) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
PubChem CID112583933
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(Sc2ccccc2)cn1
InChIInChI=1S/C14H13NOS/c1-2-14(16)13-9-8-12(10-15-13)17-11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyNHTJSRFMNKPQFQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112583940
1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
6-[(6-propanoyl-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 115938818
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939134
1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939142
1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
CID 112583931
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 112583937
2-[2-[(6-propanoyl-3-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 115938820
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
CID 112584005

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one (CID 112583933) is 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one is CCC(=O)c1ccc(Sc2ccccc2)cn1.
What is the InChIKey of 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one?
The InChIKey is NHTJSRFMNKPQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-2-14(16)13-9-8-12(10-15-13)17-11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one?
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one has a molecular weight of 243.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 112583933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).