3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide

C11H15FN2OS — CID 60962249

IUPAC3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(N)cc1F
InChIInChI=1S/C11H15FN2OS/c1-14(2)11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyONKPGDIJBXFDLZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.98
Rot. Bonds4

About 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide

3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 60962249) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID60962249
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(N)cc1F
InChIInChI=1S/C11H15FN2OS/c1-14(2)11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyONKPGDIJBXFDLZ-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline
CID 43303811
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838
4-(2-aminoethylsulfanyl)-3-fluoroaniline
CID 61320399
4-(4-amino-2-methoxyphenyl)sulfanyl-N,N-dimethylbutanamide
CID 79830452
4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
CID 68733448
2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide
CID 61357517
3-fluoro-4-(3-methylbutylsulfanyl)aniline
CID 43303733
3-fluoro-4-pentylsulfanylaniline
CID 43303727
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide
CID 43303529
3-fluoro-4-(methoxymethylsulfanyl)aniline
CID 65364452
4-(3,3-diethoxypropylsulfanyl)-3-fluoroaniline
CID 81093940
3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 60962124

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide (CID 60962249) is 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide is CN(C)C(=O)CCSc1ccc(N)cc1F.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is ONKPGDIJBXFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-14(2)11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 60962249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).