2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine

C7H11NS — CID 55287037

IUPAC2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
SMILESC1CC2=C(C1)SCCN2
InChIInChI=1S/C7H11NS/c1-2-6-7(3-1)9-5-4-8-6/h8H,1-5H2
InChIKeyKYJNDLSVMPHJCZ-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.72
Rot. Bonds

About 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine

2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine (PubChem CID 55287037) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
PubChem CID55287037
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
SMILESC1CC2=C(C1)SCCN2
InChIInChI=1S/C7H11NS/c1-2-6-7(3-1)9-5-4-8-6/h8H,1-5H2
InChIKeyKYJNDLSVMPHJCZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
The IUPAC name of 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine (CID 55287037) is 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
The canonical SMILES for 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine is C1CC2=C(C1)SCCN2.
What is the InChIKey of 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
The InChIKey is KYJNDLSVMPHJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-6-7(3-1)9-5-4-8-6/h8H,1-5H2.
What are the key properties of 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine has a molecular weight of 141.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine is sourced from PubChem (CID 55287037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).