2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide

C13H18N2O2S — CID 61366715

IUPAC2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
SMILESNc1ccccc1S(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C13H18N2O2S/c14-11-7-3-4-8-12(11)18(17)9-13(16)15-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16)
InChIKeyXEZPSBOZNOIFAW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.44
Rot. Bonds4

About 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide

2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide (PubChem CID 61366715) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
PubChem CID61366715
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
SMILESNc1ccccc1S(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C13H18N2O2S/c14-11-7-3-4-8-12(11)18(17)9-13(16)15-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16)
InChIKeyXEZPSBOZNOIFAW-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.44
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-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 63098374
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221
N-cyclohexyl-2-(2-fluorophenyl)sulfinylacetamide
CID 63792281
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
2-(2-aminophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 61368440
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
2-(cyclobutylmethylsulfinyl)aniline
CID 65460222
2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
CID 81201540
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-(2-aminophenyl)-N-(thian-4-yl)acetamide
CID 115753416

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide?
The IUPAC name of 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide (CID 61366715) is 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide is Nc1ccccc1S(=O)CC(=O)NC1CCCC1.
What is the InChIKey of 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide?
The InChIKey is XEZPSBOZNOIFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-11-7-3-4-8-12(11)18(17)9-13(16)15-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide?
2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide is sourced from PubChem (CID 61366715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).