3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide

C11H15ClN2O2S — CID 81181799

IUPAC3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-14(2)11(15)5-6-17(16)10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyCFIFCFAYBQIECF-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.51
Rot. Bonds4

About 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide

3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide (PubChem CID 81181799) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
PubChem CID81181799
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-14(2)11(15)5-6-17(16)10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyCFIFCFAYBQIECF-UHFFFAOYSA-N
XLogP1.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.51
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

3-chloro-4-[3-(dimethylamino)propylsulfinyl]aniline
CID 114526901
4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
CID 81193147
3-chloro-4-(3-ethoxypropylsulfinyl)aniline
CID 81182461
3-chloro-4-(2-ethylsulfonylethylsulfinyl)aniline
CID 81181542
3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
CID 47002615
3-chloro-4-(4-methylpentylsulfinyl)aniline
CID 83162926
3-chloro-4-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]aniline
CID 82892438
4-(4-amino-2-chlorophenyl)sulfinylbutanenitrile
CID 81182706
3-chloro-4-(4,4,4-trifluorobutylsulfinyl)aniline
CID 113327587
3-chloro-4-(cyclopropylmethylsulfinyl)aniline
CID 81182295
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide (CID 81181799) is 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide is CN(C)C(=O)CCS(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide?
The InChIKey is CFIFCFAYBQIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-14(2)11(15)5-6-17(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-chlorophenyl)sulfinyl-N,N-dimethylpropanamide?
3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide has a molecular weight of 274.77 g/mol, XLogP of 1.51, 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-chlorophenyl)sulfinyl-N,N-dimethylpropanamide is sourced from PubChem (CID 81181799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).