N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide

C10H12FNOS — CID 107027780

IUPACN-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C10H12FNOS/c1-7(14)10(13)12(2)9-5-3-4-8(11)6-9/h3-7,14H,1-2H3
InChIKeyUFMHDEUUULTRPN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.11
Rot. Bonds2

About N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide

N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide (PubChem CID 107027780) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
PubChem CID107027780
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC NameN-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C10H12FNOS/c1-7(14)10(13)12(2)9-5-3-4-8(11)6-9/h3-7,14H,1-2H3
InChIKeyUFMHDEUUULTRPN-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide 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

5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
CID 107027681
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
CID 97020341

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide (CID 107027780) is N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide is CC(S)C(=O)N(C)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
The InChIKey is UFMHDEUUULTRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-7(14)10(13)12(2)9-5-3-4-8(11)6-9/h3-7,14H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide has a molecular weight of 213.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide is sourced from PubChem (CID 107027780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).