3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine

C12H22N2S — CID 167458148

IUPAC3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine
SMILES[H]/N=C1\SCC(C)(C)CN1C1CCCCC1
InChIInChI=1S/C12H22N2S/c1-12(2)8-14(11(13)15-9-12)10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3/b13-11-
InChIKeyUDLLTMCXUGDZMR-QBFSEMIESA-N
MW226.39 g/mol
LogP3.33
Rot. Bonds1

About 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine

3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 167458148) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID167458148
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine
SMILES[H]/N=C1\SCC(C)(C)CN1C1CCCCC1
InChIInChI=1S/C12H22N2S/c1-12(2)8-14(11(13)15-9-12)10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3/b13-11-
InChIKeyUDLLTMCXUGDZMR-QBFSEMIESA-N
XLogP3.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine (CID 167458148) is 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine is [H]/N=C1\SCC(C)(C)CN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is UDLLTMCXUGDZMR-QBFSEMIESA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(2)8-14(11(13)15-9-12)10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3/b13-11-.
What are the key properties of 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine?
3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 226.39 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 167458148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).