4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine

C12H22N2S2 — CID 136778351

IUPAC4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine
SMILESCSC1CCCC(/N=C2/NC(C)CCS2)C1
InChIInChI=1S/C12H22N2S2/c1-9-6-7-16-12(13-9)14-10-4-3-5-11(8-10)15-2/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyKLQVYDPMPKXBBR-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.13
Rot. Bonds2

About 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine

4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine (PubChem CID 136778351) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine
PubChem CID136778351
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine
SMILESCSC1CCCC(/N=C2/NC(C)CCS2)C1
InChIInChI=1S/C12H22N2S2/c1-9-6-7-16-12(13-9)14-10-4-3-5-11(8-10)15-2/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyKLQVYDPMPKXBBR-UHFFFAOYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine 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-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine (CID 136778351) is 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine is CSC1CCCC(/N=C2/NC(C)CCS2)C1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine?
The InChIKey is KLQVYDPMPKXBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-9-6-7-16-12(13-9)14-10-4-3-5-11(8-10)15-2/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine?
4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine has a molecular weight of 258.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylcyclohexyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136778351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).