N-(4-aminophenyl)sulfinylpropanamide

C9H12N2O2S — CID 166696562

IUPACN-(4-aminophenyl)sulfinylpropanamide
SMILESCCC(=O)NS(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O2S/c1-2-9(12)11-14(13)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyBVQMJRHJJQABHV-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.82
Rot. Bonds3

About N-(4-aminophenyl)sulfinylpropanamide

N-(4-aminophenyl)sulfinylpropanamide (PubChem CID 166696562) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfinylpropanamide
PubChem CID166696562
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(4-aminophenyl)sulfinylpropanamide
SMILESCCC(=O)NS(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O2S/c1-2-9(12)11-14(13)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyBVQMJRHJJQABHV-UHFFFAOYSA-N
XLogP0.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfinylpropanamide?
The IUPAC name of N-(4-aminophenyl)sulfinylpropanamide (CID 166696562) is N-(4-aminophenyl)sulfinylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)sulfinylpropanamide?
The canonical SMILES for N-(4-aminophenyl)sulfinylpropanamide is CCC(=O)NS(=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfinylpropanamide?
The InChIKey is BVQMJRHJJQABHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-9(12)11-14(13)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12).
What are the key properties of N-(4-aminophenyl)sulfinylpropanamide?
N-(4-aminophenyl)sulfinylpropanamide has a molecular weight of 212.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfinylpropanamide is sourced from PubChem (CID 166696562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).