1-(9-sulfanylnonyl)pyrazin-2-one

C13H22N2OS — CID 112753767

IUPAC1-(9-sulfanylnonyl)pyrazin-2-one
SMILESO=c1cnccn1CCCCCCCCCS
InChIInChI=1S/C13H22N2OS/c16-13-12-14-8-10-15(13)9-6-4-2-1-3-5-7-11-17/h8,10,12,17H,1-7,9,11H2
InChIKeyFVQLCHWRLGAXHP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.90
Rot. Bonds9

About 1-(9-sulfanylnonyl)pyrazin-2-one

1-(9-sulfanylnonyl)pyrazin-2-one (PubChem CID 112753767) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(9-sulfanylnonyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(9-sulfanylnonyl)pyrazin-2-one
PubChem CID112753767
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(9-sulfanylnonyl)pyrazin-2-one
SMILESO=c1cnccn1CCCCCCCCCS
InChIInChI=1S/C13H22N2OS/c16-13-12-14-8-10-15(13)9-6-4-2-1-3-5-7-11-17/h8,10,12,17H,1-7,9,11H2
InChIKeyFVQLCHWRLGAXHP-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybutyl)pyrazin-2-one
CID 10487300
1-[2-(methylamino)ethyl]pyrazin-2-one
CID 130538503
1-[3-(2-aminophenoxy)propyl]pyrazin-2-one
CID 112753689
7-imidazol-1-ylheptane-1-thiol
CID 156850258
methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium
CID 163476886
1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one
CID 105344656
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(oxan-4-ylmethyl)pyrazin-2-one
CID 130538359
1-(phenylmethoxymethyl)pyrazin-2-one
CID 130538606
N-(4-fluorophenyl)-2-(2-oxopyrazin-1-yl)acetamide
CID 112753379
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide
CID 112753725

Frequently Asked Questions

What is the IUPAC name of 1-(9-sulfanylnonyl)pyrazin-2-one?
The IUPAC name of 1-(9-sulfanylnonyl)pyrazin-2-one (CID 112753767) is 1-(9-sulfanylnonyl)pyrazin-2-one.
What is the SMILES notation for 1-(9-sulfanylnonyl)pyrazin-2-one?
The canonical SMILES for 1-(9-sulfanylnonyl)pyrazin-2-one is O=c1cnccn1CCCCCCCCCS.
What is the InChIKey of 1-(9-sulfanylnonyl)pyrazin-2-one?
The InChIKey is FVQLCHWRLGAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c16-13-12-14-8-10-15(13)9-6-4-2-1-3-5-7-11-17/h8,10,12,17H,1-7,9,11H2.
What are the key properties of 1-(9-sulfanylnonyl)pyrazin-2-one?
1-(9-sulfanylnonyl)pyrazin-2-one has a molecular weight of 254.40 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-sulfanylnonyl)pyrazin-2-one is sourced from PubChem (CID 112753767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).