2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide

C12H16N2O2S — CID 81180904

IUPAC2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)c1cccc(N)c1)C1CC1
InChIInChI=1S/C12H16N2O2S/c1-14(10-5-6-10)12(15)8-17(16)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyDALGHKPTCKUMNW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.00
Rot. Bonds4

About 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide

2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide (PubChem CID 81180904) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
PubChem CID81180904
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)c1cccc(N)c1)C1CC1
InChIInChI=1S/C12H16N2O2S/c1-14(10-5-6-10)12(15)8-17(16)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyDALGHKPTCKUMNW-UHFFFAOYSA-N
XLogP1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide (CID 81180904) is 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide is CN(C(=O)CS(=O)c1cccc(N)c1)C1CC1.
What is the InChIKey of 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
The InChIKey is DALGHKPTCKUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-14(10-5-6-10)12(15)8-17(16)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8,13H2,1H3.
What are the key properties of 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 81180904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).