methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate

C13H25NS — CID 155038825

IUPACmethyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate
SMILESC/C=C\N=C(/SC)C(C)CC(C)C(C)C
InChIInChI=1S/C13H25NS/c1-7-8-14-13(15-6)12(5)9-11(4)10(2)3/h7-8,10-12H,9H2,1-6H3/b8-7-,14-13-
InChIKeyZJOSFUMWODOEGN-WRKWTSPFSA-N
MW227.42 g/mol
LogP4.60
Rot. Bonds5

About methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate

methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate (PubChem CID 155038825) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate.

Molecular Properties

Compound Namemethyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate
PubChem CID155038825
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Namemethyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate
SMILESC/C=C\N=C(/SC)C(C)CC(C)C(C)C
InChIInChI=1S/C13H25NS/c1-7-8-14-13(15-6)12(5)9-11(4)10(2)3/h7-8,10-12H,9H2,1-6H3/b8-7-,14-13-
InChIKeyZJOSFUMWODOEGN-WRKWTSPFSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.60
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 methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate 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 methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate?
The IUPAC name of methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate (CID 155038825) is methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate.
What is the SMILES notation for methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate?
The canonical SMILES for methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate is C/C=C\N=C(/SC)C(C)CC(C)C(C)C.
What is the InChIKey of methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate?
The InChIKey is ZJOSFUMWODOEGN-WRKWTSPFSA-N. The full InChI is InChI=1S/C13H25NS/c1-7-8-14-13(15-6)12(5)9-11(4)10(2)3/h7-8,10-12H,9H2,1-6H3/b8-7-,14-13-.
What are the key properties of methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate?
methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate has a molecular weight of 227.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,5-trimethyl-N-[(Z)-prop-1-enyl]hexanimidothioate is sourced from PubChem (CID 155038825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).