(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine

C6H11NS — CID 68602709

IUPAC(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
SMILESC1=C\CSCCNC/1
InChIInChI=1S/C6H11NS/c1-2-5-8-6-4-7-3-1/h1-2,7H,3-6H2/b2-1-
InChIKeyXYUUZVMWHFAQLX-UPHRSURJSA-N
MW129.23 g/mol
LogP0.88
Rot. Bonds

About (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine

(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine (PubChem CID 68602709) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine.

Molecular Properties

Compound Name(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
PubChem CID68602709
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
SMILESC1=C\CSCCNC/1
InChIInChI=1S/C6H11NS/c1-2-5-8-6-4-7-3-1/h1-2,7H,3-6H2/b2-1-
InChIKeyXYUUZVMWHFAQLX-UPHRSURJSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-1,4-thiazepine
CID 58044730
Vinylthiazolidine
CID 90729878
2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine
CID 23110791
4-Prop-2-enylthiomorpholin-4-ium
CID 52141751
2-methylsulfanyl-2,5-dihydro-1H-pyrrole
CID 58653710
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68318458
3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68602710
3,4-dihydro-2H-1,3-thiazocine
CID 69557103
2-propylsulfanyl-2,5-dihydro-1H-pyrrole
CID 70438661
2,3,4,7-Tetrahydro-1,3-thiazepine
CID 70641520

Frequently Asked Questions

What is the IUPAC name of (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine?
The IUPAC name of (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine (CID 68602709) is (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine.
What is the SMILES notation for (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine?
The canonical SMILES for (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine is C1=C\CSCCNC/1.
What is the InChIKey of (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine?
The InChIKey is XYUUZVMWHFAQLX-UPHRSURJSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-5-8-6-4-7-3-1/h1-2,7H,3-6H2/b2-1-.
What are the key properties of (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine?
(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine has a molecular weight of 129.23 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine is sourced from PubChem (CID 68602709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).