2-cyclohex-3-en-1-yl-1,3-thiazolidine

C9H15NS — CID 20569648

IUPAC2-cyclohex-3-en-1-yl-1,3-thiazolidine
SMILESC1=CCC(C2NCCS2)CC1
InChIInChI=1S/C9H15NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2,8-10H,3-7H2
InChIKeyMIIPAWFUHXASAT-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.01
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-1,3-thiazolidine

2-cyclohex-3-en-1-yl-1,3-thiazolidine (PubChem CID 20569648) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1,3-thiazolidine
PubChem CID20569648
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-cyclohex-3-en-1-yl-1,3-thiazolidine
SMILESC1=CCC(C2NCCS2)CC1
InChIInChI=1S/C9H15NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2,8-10H,3-7H2
InChIKeyMIIPAWFUHXASAT-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1,3-thiazolidine?
The IUPAC name of 2-cyclohex-3-en-1-yl-1,3-thiazolidine (CID 20569648) is 2-cyclohex-3-en-1-yl-1,3-thiazolidine.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1,3-thiazolidine?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1,3-thiazolidine is C1=CCC(C2NCCS2)CC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1,3-thiazolidine?
The InChIKey is MIIPAWFUHXASAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2,8-10H,3-7H2.
What are the key properties of 2-cyclohex-3-en-1-yl-1,3-thiazolidine?
2-cyclohex-3-en-1-yl-1,3-thiazolidine has a molecular weight of 169.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1,3-thiazolidine is sourced from PubChem (CID 20569648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).