3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

C15H16N2OS — CID 756072

IUPAC3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCSc1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H16N2OS/c18-15(17-12-13-5-4-9-16-11-13)8-10-19-14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2,(H,17,18)
InChIKeyQIDVZZKSDXKEMV-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.88
Rot. Bonds6

About 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 756072) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID756072
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCSc1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H16N2OS/c18-15(17-12-13-5-4-9-16-11-13)8-10-19-14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2,(H,17,18)
InChIKeyQIDVZZKSDXKEMV-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tert-Butyl [(2s)-1-({3-Oxo-3-[(Pyridin-3-Ylmethyl)amino]propyl}sulfanyl)-3-Phenylpropan-2-Yl]carbamate
CID 91885509
1-(4-Methylsulfanylphenyl)-3-(pyridin-3-ylmethyl)urea
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2-phenylthio-N-(3-pyridylmethyl)acetamide
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ST4014630
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2-(methylthio)-N-(3-pyridinylmethyl)benzamide
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2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
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CID 2413718

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide (CID 756072) is 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide is O=C(CCSc1ccccc1)NCc1cccnc1.
What is the InChIKey of 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QIDVZZKSDXKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(17-12-13-5-4-9-16-11-13)8-10-19-14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2,(H,17,18).
What are the key properties of 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 272.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 756072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).