3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one

C12H15NOS — CID 117316970

IUPAC3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1SC1CC1
InChIInChI=1S/C12H15NOS/c13-8-7-11(14)10-3-1-2-4-12(10)15-9-5-6-9/h1-4,9H,5-8,13H2
InChIKeyYXYKHGIZOHYUBZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one

3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one (PubChem CID 117316970) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one
PubChem CID117316970
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1SC1CC1
InChIInChI=1S/C12H15NOS/c13-8-7-11(14)10-3-1-2-4-12(10)15-9-5-6-9/h1-4,9H,5-8,13H2
InChIKeyYXYKHGIZOHYUBZ-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-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

ethyl 2-(2-cyclobutylsulfanylphenyl)-2-oxoacetate
CID 117415561
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
CID 117421840
2-(oxan-4-ylsulfanyl)benzoic acid
CID 62995870
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 96676025
2-(3,4-dimethylcyclohexyl)sulfanylbenzoic acid
CID 64739748
3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
CID 117464194
S-[2-(4-amino-4-oxobutanoyl)phenyl] N-cyclopentylcarbamothioate
CID 102024269
ethyl 2-amino-3-cyclopentylsulfanylbenzoate
CID 113333459
2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
CID 142695066
2-[1-(2-cyclopropylsulfanylphenyl)cyclopropyl]acetic acid
CID 117374314

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one (CID 117316970) is 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one is NCCC(=O)c1ccccc1SC1CC1.
What is the InChIKey of 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one?
The InChIKey is YXYKHGIZOHYUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c13-8-7-11(14)10-3-1-2-4-12(10)15-9-5-6-9/h1-4,9H,5-8,13H2.
What are the key properties of 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one?
3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one has a molecular weight of 221.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 117316970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).