2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine

C10H17NS — CID 66216932

IUPAC2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
SMILESCC1CSC(C2CC=CCC2)N1
InChIInChI=1S/C10H17NS/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-3,8-11H,4-7H2,1H3
InChIKeyJNPDOLNEJWILAE-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.39
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine

2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine (PubChem CID 66216932) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
PubChem CID66216932
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
SMILESCC1CSC(C2CC=CCC2)N1
InChIInChI=1S/C10H17NS/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-3,8-11H,4-7H2,1H3
InChIKeyJNPDOLNEJWILAE-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.39
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-4-methyl-1,3-thiazolidine?
The IUPAC name of 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine (CID 66216932) is 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine?
The canonical SMILES for 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine is CC1CSC(C2CC=CCC2)N1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine?
The InChIKey is JNPDOLNEJWILAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine?
2-cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine has a molecular weight of 183.32 g/mol, XLogP of 2.39, 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-4-methyl-1,3-thiazolidine is sourced from PubChem (CID 66216932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).