2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide

C10H12F2N2O2S — CID 61369612

IUPAC2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2O2S/c1-14(2)9(15)5-17(16)10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3
InChIKeyNMVZWTZPIJVGAI-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.74
Rot. Bonds3

About 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide

2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide (PubChem CID 61369612) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
PubChem CID61369612
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2O2S/c1-14(2)9(15)5-17(16)10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3
InChIKeyNMVZWTZPIJVGAI-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.74
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-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 61373501
2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide
CID 61357517
2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
CID 81185117
4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
CID 81193147
4-(4-amino-2,6-difluorophenyl)sulfinyl-N-methylbutanamide
CID 63891036
4-(2-tert-butylsulfonylethylsulfinyl)-3,5-difluoroaniline
CID 106728965
3,5-difluoro-4-(4-methylpentylsulfinyl)aniline
CID 83161624
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
2-(benzenesulfinyl)-N,N-dimethylacetamide
CID 25183887
4-[(2,6-difluorophenyl)methylsulfinyl]-3,5-difluoroaniline
CID 114933054
4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
CID 68733448
N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
CID 10867970

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide (CID 61369612) is 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide?
The InChIKey is NMVZWTZPIJVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c1-14(2)9(15)5-17(16)10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3.
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide?
2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide has a molecular weight of 262.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide is sourced from PubChem (CID 61369612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).