3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide

C11H15FN2O2S — CID 81190997

IUPAC3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-14(2)11(15)5-6-17(16)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3
InChIKeyMERZIBMIRQDCJN-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.99
Rot. Bonds4

About 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide

3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide (PubChem CID 81190997) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
PubChem CID81190997
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-14(2)11(15)5-6-17(16)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3
InChIKeyMERZIBMIRQDCJN-UHFFFAOYSA-N
XLogP0.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.99
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

2-fluoro-4-pentylsulfinylaniline
CID 81190922
2-fluoro-4-(methoxymethylsulfinyl)aniline
CID 81191003
4-(2,2-difluoroethylsulfinyl)-2-fluoroaniline
CID 81190420
4-amino-3-fluorobenzenesulfinic acid
CID 57017127
3-(4-amino-3-methylphenyl)sulfinylpropanamide
CID 81182245
4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
CID 81193147
2-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81191169
2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
CID 81192299
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 81191461
3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81181799
2-fluoro-4-(4-phenylbutylsulfinyl)aniline
CID 114335094

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide (CID 81190997) is 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide is CN(C)C(=O)CCS(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide?
The InChIKey is MERZIBMIRQDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-14(2)11(15)5-6-17(16)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide?
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide is sourced from PubChem (CID 81190997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).