4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine

C12H24N2OS — CID 136757364

IUPAC4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCOC(C)C)N1
InChIInChI=1S/C12H24N2OS/c1-5-12(4)6-9-16-11(14-12)13-7-8-15-10(2)3/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyDSNHXPKTCMBCLK-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.66
Rot. Bonds5

About 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine (PubChem CID 136757364) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine
PubChem CID136757364
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCOC(C)C)N1
InChIInChI=1S/C12H24N2OS/c1-5-12(4)6-9-16-11(14-12)13-7-8-15-10(2)3/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyDSNHXPKTCMBCLK-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.66
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 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-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 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine (CID 136757364) is 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CCOC(C)C)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine?
The InChIKey is DSNHXPKTCMBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-5-12(4)6-9-16-11(14-12)13-7-8-15-10(2)3/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine has a molecular weight of 244.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).