2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide

C15H22N2O2S — CID 81190714

IUPAC2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
SMILESCc1c(N)cccc1S(=O)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C15H22N2O2S/c1-10-13(16)8-5-9-14(10)20(19)11(2)15(18)17-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,16H2,1-2H3,(H,17,18)
InChIKeyORDTVMNYGLRCPF-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide

2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide (PubChem CID 81190714) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
PubChem CID81190714
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
SMILESCc1c(N)cccc1S(=O)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C15H22N2O2S/c1-10-13(16)8-5-9-14(10)20(19)11(2)15(18)17-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,16H2,1-2H3,(H,17,18)
InChIKeyORDTVMNYGLRCPF-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide 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-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221
2-(3-amino-2-methylphenyl)sulfinylpropanamide
CID 81190538
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(3-amino-2-methylphenoxy)-N-cyclopentylpropanamide
CID 43437833
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide
CID 114456546
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide (CID 81190714) is 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide is Cc1c(N)cccc1S(=O)C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide?
The InChIKey is ORDTVMNYGLRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-13(16)8-5-9-14(10)20(19)11(2)15(18)17-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide?
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide is sourced from PubChem (CID 81190714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).