2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide

C12H15ClN2O2S — CID 81201983

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
SMILESNc1ccc(Cl)c(S(=O)CC(=O)NCC2CC2)c1
InChIInChI=1S/C12H15ClN2O2S/c13-10-4-3-9(14)5-11(10)18(17)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKeyRHAUXYSYJUVANE-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.56
Rot. Bonds5

About 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide

2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide (PubChem CID 81201983) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
PubChem CID81201983
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
SMILESNc1ccc(Cl)c(S(=O)CC(=O)NCC2CC2)c1
InChIInChI=1S/C12H15ClN2O2S/c13-10-4-3-9(14)5-11(10)18(17)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKeyRHAUXYSYJUVANE-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.56
H-Bond Donors ≤ 52
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-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 82833615
2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
CID 81201988
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81202421
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81207763
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide (CID 81201983) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide is Nc1ccc(Cl)c(S(=O)CC(=O)NCC2CC2)c1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
The InChIKey is RHAUXYSYJUVANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c13-10-4-3-9(14)5-11(10)18(17)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide has a molecular weight of 286.78 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 81201983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).