N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine

C13H24N2OS — CID 137004943

IUPACN-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1OCCC1C/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C13H24N2OS/c1-4-12-11(5-6-16-12)7-14-13-15-10(3)9(2)8-17-13/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyHDVVMUXTDDEWML-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.52
Rot. Bonds3

About N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine

N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 137004943) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID137004943
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1OCCC1C/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C13H24N2OS/c1-4-12-11(5-6-16-12)7-14-13-15-10(3)9(2)8-17-13/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyHDVVMUXTDDEWML-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-ethyloxolan-3-yl)methyl]-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

Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137002756
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136948867
N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137002769
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998385
4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136723653
4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
CID 136948792
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948806
N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136857894

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine (CID 137004943) is N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine is CCC1OCCC1C/N=C1/NC(C)C(C)CS1.
What is the InChIKey of N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is HDVVMUXTDDEWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-12-11(5-6-16-12)7-14-13-15-10(3)9(2)8-17-13/h9-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 256.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137004943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).