1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine

C7H11NS — CID 148547424

IUPAC1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine
SMILESC1=C2NCSCC2CC1
InChIInChI=1S/C7H11NS/c1-2-6-4-9-5-8-7(6)3-1/h3,6,8H,1-2,4-5H2
InChIKeyUCNAAOZNQROTDM-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.57
Rot. Bonds

About 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine

1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine (PubChem CID 148547424) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine.

Molecular Properties

Compound Name1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine
PubChem CID148547424
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine
SMILESC1=C2NCSCC2CC1
InChIInChI=1S/C7H11NS/c1-2-6-4-9-5-8-7(6)3-1/h3,6,8H,1-2,4-5H2
InChIKeyUCNAAOZNQROTDM-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine 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

2,4,4a,5,6,7-hexahydro-1H-3,1-benzothiazine
CID 89286888
1,2,4,4a,5,6-Hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 140560011
1,2,4,4a,5,6-Hexahydrocyclopenta[d][1,3]thiazin-2-amine;dihydrochloride
CID 144119619
2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine
CID 160741234

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine?
The IUPAC name of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine (CID 148547424) is 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine.
What is the SMILES notation for 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine?
The canonical SMILES for 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine is C1=C2NCSCC2CC1.
What is the InChIKey of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine?
The InChIKey is UCNAAOZNQROTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-6-4-9-5-8-7(6)3-1/h3,6,8H,1-2,4-5H2.
What are the key properties of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine?
1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine has a molecular weight of 141.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazine is sourced from PubChem (CID 148547424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).