2,2-bis(prop-2-enyl)-1,3-thiazolidine

C9H15NS — CID 70163327

IUPAC2,2-bis(prop-2-enyl)-1,3-thiazolidine
SMILESC=CCC1(CC=C)NCCS1
InChIInChI=1S/C9H15NS/c1-3-5-9(6-4-2)10-7-8-11-9/h3-4,10H,1-2,5-8H2
InChIKeyULFBCVQCXKSUCS-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.17
Rot. Bonds4

About 2,2-bis(prop-2-enyl)-1,3-thiazolidine

2,2-bis(prop-2-enyl)-1,3-thiazolidine (PubChem CID 70163327) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)-1,3-thiazolidine
PubChem CID70163327
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2,2-bis(prop-2-enyl)-1,3-thiazolidine
SMILESC=CCC1(CC=C)NCCS1
InChIInChI=1S/C9H15NS/c1-3-5-9(6-4-2)10-7-8-11-9/h3-4,10H,1-2,5-8H2
InChIKeyULFBCVQCXKSUCS-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.17
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 2,2-bis(prop-2-enyl)-1,3-thiazolidine?
The IUPAC name of 2,2-bis(prop-2-enyl)-1,3-thiazolidine (CID 70163327) is 2,2-bis(prop-2-enyl)-1,3-thiazolidine.
What is the SMILES notation for 2,2-bis(prop-2-enyl)-1,3-thiazolidine?
The canonical SMILES for 2,2-bis(prop-2-enyl)-1,3-thiazolidine is C=CCC1(CC=C)NCCS1.
What is the InChIKey of 2,2-bis(prop-2-enyl)-1,3-thiazolidine?
The InChIKey is ULFBCVQCXKSUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-5-9(6-4-2)10-7-8-11-9/h3-4,10H,1-2,5-8H2.
What are the key properties of 2,2-bis(prop-2-enyl)-1,3-thiazolidine?
2,2-bis(prop-2-enyl)-1,3-thiazolidine has a molecular weight of 169.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)-1,3-thiazolidine is sourced from PubChem (CID 70163327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).