2-(3-aminophenyl)sulfinylacetamide

C8H10N2O2S — CID 81180355

IUPAC2-(3-aminophenyl)sulfinylacetamide
SMILESNC(=O)CS(=O)c1cccc(N)c1
InChIInChI=1S/C8H10N2O2S/c9-6-2-1-3-7(4-6)13(12)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyHEHWUECUKIMYHG-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.14
Rot. Bonds3

About 2-(3-aminophenyl)sulfinylacetamide

2-(3-aminophenyl)sulfinylacetamide (PubChem CID 81180355) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfinylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfinylacetamide
PubChem CID81180355
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(3-aminophenyl)sulfinylacetamide
SMILESNC(=O)CS(=O)c1cccc(N)c1
InChIInChI=1S/C8H10N2O2S/c9-6-2-1-3-7(4-6)13(12)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyHEHWUECUKIMYHG-UHFFFAOYSA-N
XLogP-0.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.14
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-(3-aminophenyl)sulfinyl-N-carbamoylacetamide
CID 81180380
2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81180904
3-(3-aminophenyl)sulfinylsulfinylaniline
CID 102249291
3-(methoxymethylsulfinyl)aniline
CID 81180021
4-[(3-aminophenyl)sulfinylmethyl]phenol
CID 81181347
3-(2-phenylethylsulfinyl)aniline
CID 81180374
3-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935213
2-(4-bromophenyl)sulfinylacetamide
CID 130650723
3-[(4-bromophenyl)methylsulfinyl]aniline
CID 81180098
3-[(3,4-dichlorophenyl)methylsulfinyl]aniline
CID 81181088
3-[(3-bromophenyl)methylsulfinyl]aniline
CID 81181362
3-(oxan-4-ylmethylsulfinyl)aniline
CID 81180730

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfinylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfinylacetamide (CID 81180355) is 2-(3-aminophenyl)sulfinylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfinylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfinylacetamide is NC(=O)CS(=O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfinylacetamide?
The InChIKey is HEHWUECUKIMYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-6-2-1-3-7(4-6)13(12)5-8(10)11/h1-4H,5,9H2,(H2,10,11).
What are the key properties of 2-(3-aminophenyl)sulfinylacetamide?
2-(3-aminophenyl)sulfinylacetamide has a molecular weight of 198.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfinylacetamide is sourced from PubChem (CID 81180355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).