ethenyl N-ethenyl-2-methylpentanimidothioate

C10H17NS — CID 146634872

IUPACethenyl N-ethenyl-2-methylpentanimidothioate
SMILESC=C/N=C(\SC=C)C(C)CCC
InChIInChI=1S/C10H17NS/c1-5-8-9(4)10(11-6-2)12-7-3/h6-7,9H,2-3,5,8H2,1,4H3/b11-10-
InChIKeyFMRYSPORJMEUKW-KHPPLWFESA-N
MW183.32 g/mol
LogP3.84
Rot. Bonds5

About ethenyl N-ethenyl-2-methylpentanimidothioate

ethenyl N-ethenyl-2-methylpentanimidothioate (PubChem CID 146634872) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is ethenyl N-ethenyl-2-methylpentanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethenyl-2-methylpentanimidothioate
PubChem CID146634872
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Nameethenyl N-ethenyl-2-methylpentanimidothioate
SMILESC=C/N=C(\SC=C)C(C)CCC
InChIInChI=1S/C10H17NS/c1-5-8-9(4)10(11-6-2)12-7-3/h6-7,9H,2-3,5,8H2,1,4H3/b11-10-
InChIKeyFMRYSPORJMEUKW-KHPPLWFESA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.84
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-ethenyl-2-methylpentanimidothioate?
The IUPAC name of ethenyl N-ethenyl-2-methylpentanimidothioate (CID 146634872) is ethenyl N-ethenyl-2-methylpentanimidothioate.
What is the SMILES notation for ethenyl N-ethenyl-2-methylpentanimidothioate?
The canonical SMILES for ethenyl N-ethenyl-2-methylpentanimidothioate is C=C/N=C(\SC=C)C(C)CCC.
What is the InChIKey of ethenyl N-ethenyl-2-methylpentanimidothioate?
The InChIKey is FMRYSPORJMEUKW-KHPPLWFESA-N. The full InChI is InChI=1S/C10H17NS/c1-5-8-9(4)10(11-6-2)12-7-3/h6-7,9H,2-3,5,8H2,1,4H3/b11-10-.
What are the key properties of ethenyl N-ethenyl-2-methylpentanimidothioate?
ethenyl N-ethenyl-2-methylpentanimidothioate has a molecular weight of 183.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenyl-2-methylpentanimidothioate is sourced from PubChem (CID 146634872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).