ethenyl N-ethenylpentanimidothioate;2-methylpropane

C13H25NS — CID 143866979

IUPACethenyl N-ethenylpentanimidothioate;2-methylpropane
SMILESC=C/N=C(/CCCC)SC=C.CC(C)C
InChIInChI=1S/C9H15NS.C4H10/c1-4-7-8-9(10-5-2)11-6-3;1-4(2)3/h5-6H,2-4,7-8H2,1H3;4H,1-3H3/b10-9-;
InChIKeyWJRIOCVDVHGVIW-KVVVOXFISA-N
MW227.42 g/mol
LogP5.26
Rot. Bonds5

About ethenyl N-ethenylpentanimidothioate;2-methylpropane

ethenyl N-ethenylpentanimidothioate;2-methylpropane (PubChem CID 143866979) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is ethenyl N-ethenylpentanimidothioate;2-methylpropane.

Molecular Properties

Compound Nameethenyl N-ethenylpentanimidothioate;2-methylpropane
PubChem CID143866979
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Nameethenyl N-ethenylpentanimidothioate;2-methylpropane
SMILESC=C/N=C(/CCCC)SC=C.CC(C)C
InChIInChI=1S/C9H15NS.C4H10/c1-4-7-8-9(10-5-2)11-6-3;1-4(2)3/h5-6H,2-4,7-8H2,1H3;4H,1-3H3/b10-9-;
InChIKeyWJRIOCVDVHGVIW-KVVVOXFISA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-ethenylpentanimidothioate;2-methylpropane?
The IUPAC name of ethenyl N-ethenylpentanimidothioate;2-methylpropane (CID 143866979) is ethenyl N-ethenylpentanimidothioate;2-methylpropane.
What is the SMILES notation for ethenyl N-ethenylpentanimidothioate;2-methylpropane?
The canonical SMILES for ethenyl N-ethenylpentanimidothioate;2-methylpropane is C=C/N=C(/CCCC)SC=C.CC(C)C.
What is the InChIKey of ethenyl N-ethenylpentanimidothioate;2-methylpropane?
The InChIKey is WJRIOCVDVHGVIW-KVVVOXFISA-N. The full InChI is InChI=1S/C9H15NS.C4H10/c1-4-7-8-9(10-5-2)11-6-3;1-4(2)3/h5-6H,2-4,7-8H2,1H3;4H,1-3H3/b10-9-;.
What are the key properties of ethenyl N-ethenylpentanimidothioate;2-methylpropane?
ethenyl N-ethenylpentanimidothioate;2-methylpropane has a molecular weight of 227.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenylpentanimidothioate;2-methylpropane is sourced from PubChem (CID 143866979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).