2-(3-amino-2-methylphenyl)sulfinylpropanamide

C10H14N2O2S — CID 81190538

IUPAC2-(3-amino-2-methylphenyl)sulfinylpropanamide
SMILESCc1c(N)cccc1S(=O)C(C)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6-8(11)4-3-5-9(6)15(14)7(2)10(12)13/h3-5,7H,11H2,1-2H3,(H2,12,13)
InChIKeyXBNDXYWHAHIHQP-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.56
Rot. Bonds3

About 2-(3-amino-2-methylphenyl)sulfinylpropanamide

2-(3-amino-2-methylphenyl)sulfinylpropanamide (PubChem CID 81190538) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfinylpropanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfinylpropanamide
PubChem CID81190538
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(3-amino-2-methylphenyl)sulfinylpropanamide
SMILESCc1c(N)cccc1S(=O)C(C)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6-8(11)4-3-5-9(6)15(14)7(2)10(12)13/h3-5,7H,11H2,1-2H3,(H2,12,13)
InChIKeyXBNDXYWHAHIHQP-UHFFFAOYSA-N
XLogP0.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.56
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)sulfinylpropanamide 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-cyclopentylpropanamide
CID 81190714
2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
CID 81193044
3-ethylsulfinyl-2-methylaniline
CID 81191050
2,4-bis(3-amino-2-methylphenyl)pentan-3-one
CID 175239812
2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81191234
4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
CID 81191302
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292
2-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
2,3-dimethylaniline;sulfur trioxide
CID 174311736
3-(3-amino-2-methylphenoxy)-2-methylpropanamide
CID 43437797
2-(3-amino-2-methylphenyl)sulfinyl-1-pyrrolidin-1-ylethanone
CID 81191386
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfinylpropanamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfinylpropanamide (CID 81190538) is 2-(3-amino-2-methylphenyl)sulfinylpropanamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfinylpropanamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfinylpropanamide is Cc1c(N)cccc1S(=O)C(C)C(N)=O.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfinylpropanamide?
The InChIKey is XBNDXYWHAHIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-8(11)4-3-5-9(6)15(14)7(2)10(12)13/h3-5,7H,11H2,1-2H3,(H2,12,13).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfinylpropanamide?
2-(3-amino-2-methylphenyl)sulfinylpropanamide has a molecular weight of 226.30 g/mol, XLogP of 0.56, 3 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)sulfinylpropanamide is sourced from PubChem (CID 81190538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).