4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide

C12H17FN2O2S — CID 81193147

IUPAC4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O2S/c1-15(2)12(16)4-3-7-18(17)11-6-5-9(14)8-10(11)13/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyONWYUJKUKFXYPA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.38
Rot. Bonds5

About 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide

4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide (PubChem CID 81193147) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
PubChem CID81193147
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O2S/c1-15(2)12(16)4-3-7-18(17)11-6-5-9(14)8-10(11)13/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyONWYUJKUKFXYPA-UHFFFAOYSA-N
XLogP1.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide 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

4-(3-ethoxypropylsulfinyl)-3-fluoroaniline
CID 81193036
4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
CID 68733448
3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81181799
3-[4-(dimethylamino)-4-oxobutyl]sulfinyl-4-fluorobenzoic acid
CID 80558204
4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81192561
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 60962249
6-(2,4-difluorophenyl)sulfinylhexan-3-one
CID 106808610
4-(4-amino-2-bromophenyl)sulfinyl-N-methylbutanamide
CID 82834836
2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
CID 61369612
3-fluoro-4-(2-pyridin-4-ylethylsulfinyl)aniline
CID 81193026
3-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81192156

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide (CID 81193147) is 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide?
The InChIKey is ONWYUJKUKFXYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(2)12(16)4-3-7-18(17)11-6-5-9(14)8-10(11)13/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide?
4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide has a molecular weight of 272.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide is sourced from PubChem (CID 81193147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).