2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide

C10H10ClN3O2S — CID 81185128

IUPAC2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CS(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H10ClN3O2S/c11-7-2-1-3-8(13)10(7)17(16)6-9(15)14-5-4-12/h1-3H,5-6,13H2,(H,14,15)
InChIKeyWNTDIINFIUWMSS-UHFFFAOYSA-N
MW271.73 g/mol
LogP0.67
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide

2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide (PubChem CID 81185128) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
PubChem CID81185128
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CS(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H10ClN3O2S/c11-7-2-1-3-8(13)10(7)17(16)6-9(15)14-5-4-12/h1-3H,5-6,13H2,(H,14,15)
InChIKeyWNTDIINFIUWMSS-UHFFFAOYSA-N
XLogP0.67
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81185351
2-(2-amino-6-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 81185788
2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
CID 81185117
2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 107715955
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118
3-chloro-2-propylsulfinylaniline
CID 81185466
3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 64715227
2-(2-aminophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 61368440
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81202421
2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81185588
2-(2-amino-6-chlorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 81184113

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide (CID 81185128) is 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide is N#CCNC(=O)CS(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
The InChIKey is WNTDIINFIUWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c11-7-2-1-3-8(13)10(7)17(16)6-9(15)14-5-4-12/h1-3H,5-6,13H2,(H,14,15).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide has a molecular weight of 271.73 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide is sourced from PubChem (CID 81185128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).