3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine

C11H21NS — CID 79862447

IUPAC3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine
SMILESCCC1CSC2CCC(C)(C)C2N1
InChIInChI=1S/C11H21NS/c1-4-8-7-13-9-5-6-11(2,3)10(9)12-8/h8-10,12H,4-7H2,1-3H3
InChIKeyWFGIBFVCMSOUMA-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds1

About 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine

3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine (PubChem CID 79862447) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine.

Molecular Properties

Compound Name3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine
PubChem CID79862447
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine
SMILESCCC1CSC2CCC(C)(C)C2N1
InChIInChI=1S/C11H21NS/c1-4-8-7-13-9-5-6-11(2,3)10(9)12-8/h8-10,12H,4-7H2,1-3H3
InChIKeyWFGIBFVCMSOUMA-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 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 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine?
The IUPAC name of 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine (CID 79862447) is 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine.
What is the SMILES notation for 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine?
The canonical SMILES for 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine is CCC1CSC2CCC(C)(C)C2N1.
What is the InChIKey of 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine?
The InChIKey is WFGIBFVCMSOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-8-7-13-9-5-6-11(2,3)10(9)12-8/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine?
3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine is sourced from PubChem (CID 79862447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).