ethenyl N-ethenyl-5-methylhexanimidothioate

C11H19NS — CID 126713419

IUPACethenyl N-ethenyl-5-methylhexanimidothioate
SMILESC=C/N=C(/CCCC(C)C)SC=C
InChIInChI=1S/C11H19NS/c1-5-12-11(13-6-2)9-7-8-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3/b12-11-
InChIKeyDTEVVAPVNRSIRW-QXMHVHEDSA-N
MW197.35 g/mol
LogP4.23
Rot. Bonds6

About ethenyl N-ethenyl-5-methylhexanimidothioate

ethenyl N-ethenyl-5-methylhexanimidothioate (PubChem CID 126713419) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is ethenyl N-ethenyl-5-methylhexanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethenyl-5-methylhexanimidothioate
PubChem CID126713419
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Nameethenyl N-ethenyl-5-methylhexanimidothioate
SMILESC=C/N=C(/CCCC(C)C)SC=C
InChIInChI=1S/C11H19NS/c1-5-12-11(13-6-2)9-7-8-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3/b12-11-
InChIKeyDTEVVAPVNRSIRW-QXMHVHEDSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.23
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'}

Analyze ethenyl N-ethenyl-5-methylhexanimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenyl N-ethenyl-5-methylhexanimidothioate?
The IUPAC name of ethenyl N-ethenyl-5-methylhexanimidothioate (CID 126713419) is ethenyl N-ethenyl-5-methylhexanimidothioate.
What is the SMILES notation for ethenyl N-ethenyl-5-methylhexanimidothioate?
The canonical SMILES for ethenyl N-ethenyl-5-methylhexanimidothioate is C=C/N=C(/CCCC(C)C)SC=C.
What is the InChIKey of ethenyl N-ethenyl-5-methylhexanimidothioate?
The InChIKey is DTEVVAPVNRSIRW-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-12-11(13-6-2)9-7-8-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3/b12-11-.
What are the key properties of ethenyl N-ethenyl-5-methylhexanimidothioate?
ethenyl N-ethenyl-5-methylhexanimidothioate has a molecular weight of 197.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenyl-5-methylhexanimidothioate is sourced from PubChem (CID 126713419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).