3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide

C11H13FN2OS — CID 28942552

IUPAC3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CC(N)=S
InChIInChI=1S/C11H13FN2OS/c1-14(11(15)6-10(13)16)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyMXYKHGNMZYBAMI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide

3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide (PubChem CID 28942552) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
PubChem CID28942552
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CC(N)=S
InChIInChI=1S/C11H13FN2OS/c1-14(11(15)6-10(13)16)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyMXYKHGNMZYBAMI-UHFFFAOYSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide 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-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 43290526
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56810268
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934884
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide (CID 28942552) is 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide is CN(Cc1cccc(F)c1)C(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide?
The InChIKey is MXYKHGNMZYBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-14(11(15)6-10(13)16)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H2,13,16).
What are the key properties of 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide?
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide has a molecular weight of 240.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 28942552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).