(7Z)-3,4,5,6-tetrahydro-2H-thiazocine

C6H11NS — CID 67177344

IUPAC(7Z)-3,4,5,6-tetrahydro-2H-thiazocine
SMILESC1=C\SNCCCC/1
InChIInChI=1S/C6H11NS/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2/b6-4-
InChIKeyYUPIUKQRSZSBAD-XQRVVYSFSA-N
MW129.23 g/mol
LogP1.92
Rot. Bonds

About (7Z)-3,4,5,6-tetrahydro-2H-thiazocine

(7Z)-3,4,5,6-tetrahydro-2H-thiazocine (PubChem CID 67177344) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (7Z)-3,4,5,6-tetrahydro-2H-thiazocine.

Molecular Properties

Compound Name(7Z)-3,4,5,6-tetrahydro-2H-thiazocine
PubChem CID67177344
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(7Z)-3,4,5,6-tetrahydro-2H-thiazocine
SMILESC1=C\SNCCCC/1
InChIInChI=1S/C6H11NS/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2/b6-4-
InChIKeyYUPIUKQRSZSBAD-XQRVVYSFSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-3,4,5,6-tetrahydro-2H-thiazocine?
The IUPAC name of (7Z)-3,4,5,6-tetrahydro-2H-thiazocine (CID 67177344) is (7Z)-3,4,5,6-tetrahydro-2H-thiazocine.
What is the SMILES notation for (7Z)-3,4,5,6-tetrahydro-2H-thiazocine?
The canonical SMILES for (7Z)-3,4,5,6-tetrahydro-2H-thiazocine is C1=C\SNCCCC/1.
What is the InChIKey of (7Z)-3,4,5,6-tetrahydro-2H-thiazocine?
The InChIKey is YUPIUKQRSZSBAD-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2/b6-4-.
What are the key properties of (7Z)-3,4,5,6-tetrahydro-2H-thiazocine?
(7Z)-3,4,5,6-tetrahydro-2H-thiazocine has a molecular weight of 129.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,4,5,6-tetrahydro-2H-thiazocine is sourced from PubChem (CID 67177344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).