2-heptyl-2-methyl-1,3-thiazolidine

C11H23NS — CID 3058795

IUPAC2-heptyl-2-methyl-1,3-thiazolidine
SMILESCCCCCCCC1(C)NCCS1
InChIInChI=1S/C11H23NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h12H,3-10H2,1-2H3
InChIKeyCEDWGXLNTRXMPH-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.40
Rot. Bonds6

About 2-heptyl-2-methyl-1,3-thiazolidine

2-heptyl-2-methyl-1,3-thiazolidine (PubChem CID 3058795) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-heptyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-heptyl-2-methyl-1,3-thiazolidine
PubChem CID3058795
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-heptyl-2-methyl-1,3-thiazolidine
SMILESCCCCCCCC1(C)NCCS1
InChIInChI=1S/C11H23NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h12H,3-10H2,1-2H3
InChIKeyCEDWGXLNTRXMPH-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-heptyl-2-methyl-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-heptyl-2-methyl-1,3-thiazolidine (CID 3058795) is 2-heptyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-heptyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-heptyl-2-methyl-1,3-thiazolidine is CCCCCCCC1(C)NCCS1.
What is the InChIKey of 2-heptyl-2-methyl-1,3-thiazolidine?
The InChIKey is CEDWGXLNTRXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h12H,3-10H2,1-2H3.
What are the key properties of 2-heptyl-2-methyl-1,3-thiazolidine?
2-heptyl-2-methyl-1,3-thiazolidine has a molecular weight of 201.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 3058795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).