1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one

C15H16N2OS — CID 66085997

IUPAC1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCc1cccc(SCC(=O)Cc2cnccc2N)c1
InChIInChI=1S/C15H16N2OS/c1-11-3-2-4-14(7-11)19-10-13(18)8-12-9-17-6-5-15(12)16/h2-7,9H,8,10H2,1H3,(H2,16,17)
InChIKeyHGNKPRMJEKWDCW-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one

1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one (PubChem CID 66085997) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
PubChem CID66085997
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCc1cccc(SCC(=O)Cc2cnccc2N)c1
InChIInChI=1S/C15H16N2OS/c1-11-3-2-4-14(7-11)19-10-13(18)8-12-9-17-6-5-15(12)16/h2-7,9H,8,10H2,1H3,(H2,16,17)
InChIKeyHGNKPRMJEKWDCW-UHFFFAOYSA-N
XLogP2.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 ≤ 104

Analyze 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-pyridinyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66144236
1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
CID 66087741
1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 105405333
1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 79746277
1-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66086002
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 104793476
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
1-(3-methylphenyl)sulfanylpent-4-en-2-one
CID 66086575
ethyl 5-(3-methylphenyl)sulfanyl-4-oxopentanoate
CID 66323173
1-(4-amino-3-pyridinyl)-2-(3-bromophenyl)sulfanylethanone
CID 66144132
1-(3-methylphenyl)sulfanylundecan-2-one
CID 66088123
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66065763

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one (CID 66085997) is 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one is Cc1cccc(SCC(=O)Cc2cnccc2N)c1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The InChIKey is HGNKPRMJEKWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-3-2-4-14(7-11)19-10-13(18)8-12-9-17-6-5-15(12)16/h2-7,9H,8,10H2,1H3,(H2,16,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one has a molecular weight of 272.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66085997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).