N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C15H28N2S — CID 136848107

IUPACN-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCC2CCCCC2)N1
InChIInChI=1S/C15H28N2S/c1-12(2)14-9-11-18-15(17-14)16-10-8-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,16,17)
InChIKeyWNRTXVNJELCADH-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.06
Rot. Bonds4

About N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848107) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848107
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCC2CCCCC2)N1
InChIInChI=1S/C15H28N2S/c1-12(2)14-9-11-18-15(17-14)16-10-8-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,16,17)
InChIKeyWNRTXVNJELCADH-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993355
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848107) is N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCC2CCCCC2)N1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is WNRTXVNJELCADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(2)14-9-11-18-15(17-14)16-10-8-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).