4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine

C13H21NS — CID 134197953

IUPAC4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine
SMILESCC1NC(C(=C2CCC2)C2CCC2)CS1
InChIInChI=1S/C13H21NS/c1-9-14-12(8-15-9)13(10-4-2-5-10)11-6-3-7-11/h9-10,12,14H,2-8H2,1H3
InChIKeySSMDEIHVYPDCEX-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.32
Rot. Bonds2

About 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine

4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine (PubChem CID 134197953) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine
PubChem CID134197953
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine
SMILESCC1NC(C(=C2CCC2)C2CCC2)CS1
InChIInChI=1S/C13H21NS/c1-9-14-12(8-15-9)13(10-4-2-5-10)11-6-3-7-11/h9-10,12,14H,2-8H2,1H3
InChIKeySSMDEIHVYPDCEX-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.32
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 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine (CID 134197953) is 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine is CC1NC(C(=C2CCC2)C2CCC2)CS1.
What is the InChIKey of 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine?
The InChIKey is SSMDEIHVYPDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-14-12(8-15-9)13(10-4-2-5-10)11-6-3-7-11/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine?
4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine has a molecular weight of 223.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(cyclobutylidene)methyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 134197953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).