3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one

C11H11N3OS — CID 62939762

IUPAC3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one
SMILESCn1ccnc(Sc2ccccc2N)c1=O
InChIInChI=1S/C11H11N3OS/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,12H2,1H3
InChIKeyVAMFRTURBHIIBK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one

3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one (PubChem CID 62939762) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one
PubChem CID62939762
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one
SMILESCn1ccnc(Sc2ccccc2N)c1=O
InChIInChI=1S/C11H11N3OS/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,12H2,1H3
InChIKeyVAMFRTURBHIIBK-UHFFFAOYSA-N
XLogP1.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N,N-diethylacetamide
CID 712541
1-[(2-aminophenyl)sulfanyl]-N,N-dimethylformamide hydrochloride
CID 50988467
2-(2-aminophenyl)thio-N-methyl-maleimide
CID 14956170
2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 43303945
2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 43304077
2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 43304082
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dibutylacetamide
CID 43304140
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dipropylacetamide
CID 43304141
N-[2-(2-amino-4-fluorophenyl)sulfanylethyl]acetamide
CID 43304149
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 43304175
2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 43304183
2-(2-Amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 43304198

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one (CID 62939762) is 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one is Cn1ccnc(Sc2ccccc2N)c1=O.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one?
The InChIKey is VAMFRTURBHIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,12H2,1H3.
What are the key properties of 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one?
3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one has a molecular weight of 233.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one is sourced from PubChem (CID 62939762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).