3-phenyl-2-sulfinylpropanamide

C9H9NO2S — CID 174507672

IUPAC3-phenyl-2-sulfinylpropanamide
SMILESNC(=O)C(Cc1ccccc1)=S=O
InChIInChI=1S/C9H9NO2S/c10-9(11)8(13-12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
InChIKeyPZYPHWWPPLIJJP-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.10
Rot. Bonds3

About 3-phenyl-2-sulfinylpropanamide

3-phenyl-2-sulfinylpropanamide (PubChem CID 174507672) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-phenyl-2-sulfinylpropanamide.

Molecular Properties

Compound Name3-phenyl-2-sulfinylpropanamide
PubChem CID174507672
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-phenyl-2-sulfinylpropanamide
SMILESNC(=O)C(Cc1ccccc1)=S=O
InChIInChI=1S/C9H9NO2S/c10-9(11)8(13-12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
InChIKeyPZYPHWWPPLIJJP-UHFFFAOYSA-N
XLogP0.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-phenyl-2-sulfinylpropanamide 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

N,N-dimethyl-3-phenyl-2-sulfinylpropanamide
CID 88538273
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
3-phenyl-2-sulfanylidenepropanamide
CID 22372575
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968
2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592
1,3-diphenyl(213C)propan-2-one
CID 100945080
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfinylpropanamide?
The IUPAC name of 3-phenyl-2-sulfinylpropanamide (CID 174507672) is 3-phenyl-2-sulfinylpropanamide.
What is the SMILES notation for 3-phenyl-2-sulfinylpropanamide?
The canonical SMILES for 3-phenyl-2-sulfinylpropanamide is NC(=O)C(Cc1ccccc1)=S=O.
What is the InChIKey of 3-phenyl-2-sulfinylpropanamide?
The InChIKey is PZYPHWWPPLIJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c10-9(11)8(13-12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11).
What are the key properties of 3-phenyl-2-sulfinylpropanamide?
3-phenyl-2-sulfinylpropanamide has a molecular weight of 195.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfinylpropanamide is sourced from PubChem (CID 174507672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).