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

C12H24N2OS — CID 136857894

IUPACN-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCOCCCCC/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C12H24N2OS/c1-10-9-16-12(14-11(10)2)13-7-5-4-6-8-15-3/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyFQMFIBZZCNMVQH-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds6

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

N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136857894) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID136857894
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCOCCCCC/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C12H24N2OS/c1-10-9-16-12(14-11(10)2)13-7-5-4-6-8-15-3/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyFQMFIBZZCNMVQH-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-methoxypentyl)-4,5-dimethyl-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 N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine (CID 136857894) is N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine is COCCCCC/N=C1/NC(C)C(C)CS1.
What is the InChIKey of N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is FQMFIBZZCNMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10-9-16-12(14-11(10)2)13-7-5-4-6-8-15-3/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136857894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).