N-methyl-1,3-thiazinan-2-imine

C5H10N2S — CID 135463738

IUPACN-methyl-1,3-thiazinan-2-imine
SMILESC/N=C1/NCCCS1
InChIInChI=1S/C5H10N2S/c1-6-5-7-3-2-4-8-5/h2-4H2,1H3,(H,6,7)
InChIKeyWLWLROINBYWIKX-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.70
Rot. Bonds

About N-methyl-1,3-thiazinan-2-imine

N-methyl-1,3-thiazinan-2-imine (PubChem CID 135463738) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is N-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-methyl-1,3-thiazinan-2-imine
PubChem CID135463738
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC NameN-methyl-1,3-thiazinan-2-imine
SMILESC/N=C1/NCCCS1
InChIInChI=1S/C5H10N2S/c1-6-5-7-3-2-4-8-5/h2-4H2,1H3,(H,6,7)
InChIKeyWLWLROINBYWIKX-UHFFFAOYSA-N
XLogP0.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-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-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-methyl-1,3-thiazinan-2-imine (CID 135463738) is N-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-methyl-1,3-thiazinan-2-imine is C/N=C1/NCCCS1.
What is the InChIKey of N-methyl-1,3-thiazinan-2-imine?
The InChIKey is WLWLROINBYWIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-6-5-7-3-2-4-8-5/h2-4H2,1H3,(H,6,7).
What are the key properties of N-methyl-1,3-thiazinan-2-imine?
N-methyl-1,3-thiazinan-2-imine has a molecular weight of 130.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 135463738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).