methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one

C16H20N2OS — CID 91172505

IUPACmethanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one
SMILESCC(=O)CC(Sc1ccccc1)c1cccnc1.CN
InChIInChI=1S/C15H15NOS.CH5N/c1-12(17)10-15(13-6-5-9-16-11-13)18-14-7-3-2-4-8-14;1-2/h2-9,11,15H,10H2,1H3;2H2,1H3
InChIKeyLQFXBLNWVOZBOS-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.47
Rot. Bonds5

About methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one

methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one (PubChem CID 91172505) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Namemethanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one
PubChem CID91172505
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Namemethanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one
SMILESCC(=O)CC(Sc1ccccc1)c1cccnc1.CN
InChIInChI=1S/C15H15NOS.CH5N/c1-12(17)10-15(13-6-5-9-16-11-13)18-14-7-3-2-4-8-14;1-2/h2-9,11,15H,10H2,1H3;2H2,1H3
InChIKeyLQFXBLNWVOZBOS-UHFFFAOYSA-N
XLogP3.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-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

4-(4-hydroxyphenyl)sulfanyl-4-phenylbutan-2-one
CID 139679363
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
acetic acid;3-(2-methylpropylsulfanyl)pyridine
CID 174761350
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 11748151
(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
CID 160853710
4-[3-(dimethylamino)phenyl]sulfanyl-4-phenylbutan-2-one
CID 146580281
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153

Frequently Asked Questions

What is the IUPAC name of methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one?
The IUPAC name of methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one (CID 91172505) is methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one is CC(=O)CC(Sc1ccccc1)c1cccnc1.CN.
What is the InChIKey of methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one?
The InChIKey is LQFXBLNWVOZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS.CH5N/c1-12(17)10-15(13-6-5-9-16-11-13)18-14-7-3-2-4-8-14;1-2/h2-9,11,15H,10H2,1H3;2H2,1H3.
What are the key properties of methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one?
methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 91172505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).