2H-cycloocta[e]thiadiazine

C9H8N2S — CID 87491777

IUPAC2H-cycloocta[e]thiadiazine
SMILESc1cccc2s[nH]ncc-2cc1
InChIInChI=1S/C9H8N2S/c1-2-4-6-9-8(5-3-1)7-10-11-12-9/h1-7,11H/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+
InChIKeyLADTZAFDRAZIFZ-AOAZNCMSSA-N
MW176.24 g/mol
LogP2.70
Rot. Bonds

About 2H-cycloocta[e]thiadiazine

2H-cycloocta[e]thiadiazine (PubChem CID 87491777) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2H-cycloocta[e]thiadiazine.

Molecular Properties

Compound Name2H-cycloocta[e]thiadiazine
PubChem CID87491777
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name2H-cycloocta[e]thiadiazine
SMILESc1cccc2s[nH]ncc-2cc1
InChIInChI=1S/C9H8N2S/c1-2-4-6-9-8(5-3-1)7-10-11-12-9/h1-7,11H/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+
InChIKeyLADTZAFDRAZIFZ-AOAZNCMSSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cycloocta[e]thiadiazine?
The IUPAC name of 2H-cycloocta[e]thiadiazine (CID 87491777) is 2H-cycloocta[e]thiadiazine.
What is the SMILES notation for 2H-cycloocta[e]thiadiazine?
The canonical SMILES for 2H-cycloocta[e]thiadiazine is c1cccc2s[nH]ncc-2cc1.
What is the InChIKey of 2H-cycloocta[e]thiadiazine?
The InChIKey is LADTZAFDRAZIFZ-AOAZNCMSSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-4-6-9-8(5-3-1)7-10-11-12-9/h1-7,11H/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+.
What are the key properties of 2H-cycloocta[e]thiadiazine?
2H-cycloocta[e]thiadiazine has a molecular weight of 176.24 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cycloocta[e]thiadiazine is sourced from PubChem (CID 87491777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).