1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone

C16H17NOS — CID 83119488

IUPAC1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H17NOS/c1-11(2)13-4-6-14(7-5-13)19-15-8-9-16(12(3)18)17-10-15/h4-11H,1-3H3
InChIKeyDJKHXNCBXFVKOM-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.56
Rot. Bonds4

About 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone

1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone (PubChem CID 83119488) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
PubChem CID83119488
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H17NOS/c1-11(2)13-4-6-14(7-5-13)19-15-8-9-16(12(3)18)17-10-15/h4-11H,1-3H3
InChIKeyDJKHXNCBXFVKOM-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119793
1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
CID 83119888
1-(5-pentylsulfanyl-2-pyridinyl)ethanone
CID 107750438
1-[5-[(4-chlorophenyl)methylsulfanyl]-2-pyridinyl]ethanone
CID 114790551
1-[2-amino-4-(4-propan-2-ylphenyl)sulfanylphenyl]ethanone
CID 104529403
methyl 3-[(6-acetyl-3-pyridinyl)sulfanyl]butanoate
CID 83118718
1-[5-[hydroxy(methoxy)methyl]-2-pyridinyl]ethanone
CID 123393124
5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
CID 115491227
bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium
CID 88530520
5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 115491187
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone
CID 83119190

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone (CID 83119488) is 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone is CC(=O)c1ccc(Sc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone?
The InChIKey is DJKHXNCBXFVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11(2)13-4-6-14(7-5-13)19-15-8-9-16(12(3)18)17-10-15/h4-11H,1-3H3.
What are the key properties of 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone?
1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone has a molecular weight of 271.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone is sourced from PubChem (CID 83119488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).