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

C10H12F2N2OS — CID 61357517

IUPAC2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2OS/c1-14(2)9(15)5-16-10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3
InChIKeyDXRNZELBAMLQMN-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.73
Rot. Bonds3

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

2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide (PubChem CID 61357517) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide
PubChem CID61357517
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2OS/c1-14(2)9(15)5-16-10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3
InChIKeyDXRNZELBAMLQMN-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide 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

2-(4,6-diamino-3-chloro-2-fluorophenyl)sulfanyl-N,N-dimethylacetamide
CID 114233299
2-amino-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-4-fluorobenzoic acid
CID 114234233
3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 60962249
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 60626717
2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
CID 61369612
4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
CID 68733448
2-(2-acetyl-4-fluoro-5-methylphenyl)sulfanyl-N,N-dimethylacetamide
CID 114233846
3-(4-amino-2,6-difluorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62627895
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide
CID 43303529
4-[2-(diethylamino)ethylsulfanyl]-3,5-difluoroaniline
CID 61360208
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
CID 81193147

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide (CID 61357517) is 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is DXRNZELBAMLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c1-14(2)9(15)5-16-10-7(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)sulfanyl-N,N-dimethylacetamide?
2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 246.28 g/mol, XLogP of 1.73, 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)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 61357517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).