2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide

C10H13ClN2O2S — CID 81185117

IUPAC2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H13ClN2O2S/c1-13(2)9(14)6-16(15)10-7(11)4-3-5-8(10)12/h3-5H,6,12H2,1-2H3
InChIKeyWBKKGFKOEYQMAO-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.12
Rot. Bonds3

About 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide

2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide (PubChem CID 81185117) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
PubChem CID81185117
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H13ClN2O2S/c1-13(2)9(14)6-16(15)10-7(11)4-3-5-8(10)12/h3-5H,6,12H2,1-2H3
InChIKeyWBKKGFKOEYQMAO-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.12
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-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81185128
3-chloro-2-propylsulfinylaniline
CID 81185466
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118
3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
2-(2-amino-6-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 81185788
2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81185351
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)sulfinyl-N-methylacetamide
CID 115477733
3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline
CID 81185714
2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
CID 61369612
3-chloro-2-(cyclopropylmethylsulfinyl)aniline
CID 81184967
3-chloro-2-(3-methylsulfonylpropylsulfinyl)aniline
CID 81185705
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 63660537

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide (CID 81185117) is 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide?
The InChIKey is WBKKGFKOEYQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-13(2)9(14)6-16(15)10-7(11)4-3-5-8(10)12/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide?
2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide has a molecular weight of 260.75 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide is sourced from PubChem (CID 81185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).