N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine

C13H24N2S — CID 136948856

IUPACN-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\C2CCCC2(C)C)NC1C
InChIInChI=1S/C13H24N2S/c1-9-8-16-12(14-10(9)2)15-11-6-5-7-13(11,3)4/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyQDTRYCNNWUIMDW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.28
Rot. Bonds1

About N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine

N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136948856) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID136948856
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\C2CCCC2(C)C)NC1C
InChIInChI=1S/C13H24N2S/c1-9-8-16-12(14-10(9)2)15-11-6-5-7-13(11,3)4/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyQDTRYCNNWUIMDW-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.28
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-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine (CID 136948856) is N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine is CC1CS/C(=N\C2CCCC2(C)C)NC1C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is QDTRYCNNWUIMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9-8-16-12(14-10(9)2)15-11-6-5-7-13(11,3)4/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 240.42 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).