2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine

C11H21NS — CID 6447468

IUPAC2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
SMILESCCC/C=C/CCC1(C)NCCS1
InChIInChI=1S/C11H21NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h5-6,12H,3-4,7-10H2,1-2H3/b6-5+
InChIKeyVPGMNFFANPOGGC-AATRIKPKSA-N
MW199.36 g/mol
LogP3.18
Rot. Bonds5

About 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine

2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine (PubChem CID 6447468) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
PubChem CID6447468
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
SMILESCCC/C=C/CCC1(C)NCCS1
InChIInChI=1S/C11H21NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h5-6,12H,3-4,7-10H2,1-2H3/b6-5+
InChIKeyVPGMNFFANPOGGC-AATRIKPKSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.18
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-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine (CID 6447468) is 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine is CCC/C=C/CCC1(C)NCCS1.
What is the InChIKey of 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine?
The InChIKey is VPGMNFFANPOGGC-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h5-6,12H,3-4,7-10H2,1-2H3/b6-5+.
What are the key properties of 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine?
2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine has a molecular weight of 199.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 6447468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).