4-prop-2-enyl-(613C)1,4-thiazinane

C7H13NS — CID 173169396

IUPAC4-prop-2-enyl-(613C)1,4-thiazinane
SMILESC=CCN1CCS[13CH2]C1
InChIInChI=1S/C7H13NS/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2/i6+1
InChIKeyOGZXXXWPSOTXIR-PTQBSOBMSA-N
MW144.25 g/mol
LogP1.22
Rot. Bonds2

About 4-prop-2-enyl-(613C)1,4-thiazinane

4-prop-2-enyl-(613C)1,4-thiazinane (PubChem CID 173169396) has the molecular formula C7H13NS and a molecular weight of 144.25 g/mol. Its IUPAC name is 4-prop-2-enyl-(613C)1,4-thiazinane.

Molecular Properties

Compound Name4-prop-2-enyl-(613C)1,4-thiazinane
PubChem CID173169396
Molecular FormulaC7H13NS
Molecular Weight144.25 g/mol
Exact Mass144.08
IUPAC Name4-prop-2-enyl-(613C)1,4-thiazinane
SMILESC=CCN1CCS[13CH2]C1
InChIInChI=1S/C7H13NS/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2/i6+1
InChIKeyOGZXXXWPSOTXIR-PTQBSOBMSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-prop-2-enyl-(613C)1,4-thiazinane 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 4-prop-2-enyl-(613C)1,4-thiazinane?
The IUPAC name of 4-prop-2-enyl-(613C)1,4-thiazinane (CID 173169396) is 4-prop-2-enyl-(613C)1,4-thiazinane.
What is the SMILES notation for 4-prop-2-enyl-(613C)1,4-thiazinane?
The canonical SMILES for 4-prop-2-enyl-(613C)1,4-thiazinane is C=CCN1CCS[13CH2]C1.
What is the InChIKey of 4-prop-2-enyl-(613C)1,4-thiazinane?
The InChIKey is OGZXXXWPSOTXIR-PTQBSOBMSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2/i6+1.
What are the key properties of 4-prop-2-enyl-(613C)1,4-thiazinane?
4-prop-2-enyl-(613C)1,4-thiazinane has a molecular weight of 144.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-(613C)1,4-thiazinane is sourced from PubChem (CID 173169396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).