(7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine

C7H13NS — CID 170516764

IUPAC(7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine
SMILESC1=C\CSCCCNC/1
InChIInChI=1S/C7H13NS/c1-2-6-9-7-3-5-8-4-1/h1-2,8H,3-7H2/b2-1-
InChIKeyKIOTYGSVSWQASZ-UPHRSURJSA-N
MW143.26 g/mol
LogP1.27
Rot. Bonds

About (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine

(7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine (PubChem CID 170516764) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine.

Molecular Properties

Compound Name(7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine
PubChem CID170516764
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name(7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine
SMILESC1=C\CSCCCNC/1
InChIInChI=1S/C7H13NS/c1-2-6-9-7-3-5-8-4-1/h1-2,8H,3-7H2/b2-1-
InChIKeyKIOTYGSVSWQASZ-UPHRSURJSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine 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 (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine?
The IUPAC name of (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine (CID 170516764) is (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine.
What is the SMILES notation for (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine?
The canonical SMILES for (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine is C1=C\CSCCCNC/1.
What is the InChIKey of (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine?
The InChIKey is KIOTYGSVSWQASZ-UPHRSURJSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-6-9-7-3-5-8-4-1/h1-2,8H,3-7H2/b2-1-.
What are the key properties of (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine?
(7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine has a molecular weight of 143.26 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,3,4,5,6,9-hexahydro-1,5-thiazonine is sourced from PubChem (CID 170516764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).