N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine

C12H22N2S — CID 136984791

IUPACN-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\C2CCCCC2)N1
InChIInChI=1S/C12H22N2S/c1-12(2)8-9-15-11(14-12)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyBOGUQMVPJCZEJM-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.18
Rot. Bonds1

About N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine

N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136984791) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136984791
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\C2CCCCC2)N1
InChIInChI=1S/C12H22N2S/c1-12(2)8-9-15-11(14-12)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyBOGUQMVPJCZEJM-UHFFFAOYSA-N
XLogP3.18
TPSA24.39 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 ≤ 53.18
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 N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136984791) is N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine is CC1(C)CCS/C(=N\C2CCCCC2)N1.
What is the InChIKey of N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is BOGUQMVPJCZEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(2)8-9-15-11(14-12)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine?
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 226.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).