3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide

C6H11NO2S — CID 86232673

IUPAC3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide
SMILESC=CCC1CCS(=O)(=O)N1
InChIInChI=1S/C6H11NO2S/c1-2-3-6-4-5-10(8,9)7-6/h2,6-7H,1,3-5H2
InChIKeyQPXOTBSOVYGGKK-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.25
Rot. Bonds2

About 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide

3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 86232673) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide
PubChem CID86232673
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide
SMILESC=CCC1CCS(=O)(=O)N1
InChIInChI=1S/C6H11NO2S/c1-2-3-6-4-5-10(8,9)7-6/h2,6-7H,1,3-5H2
InChIKeyQPXOTBSOVYGGKK-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminopent-4-ene-1-sulfonyl fluoride
CID 165762613
2-Aminohex-5-ene-1-sulfonyl fluoride
CID 165762614
N-propan-2-ylcyclopent-3-ene-1-sulfonamide
CID 59844514
2-Aminopent-4-ene-1-sulfonamide
CID 87987680
N-cyclopent-3-en-1-ylpropane-2-sulfonamide
CID 115695684
Hepta-1,6-dien-4-ylazanium;propane-2-sulfonate
CID 139988386
Ethanesulfonate;hepta-1,6-dien-4-ylazanium
CID 139988395
Hepta-1,6-dien-4-ylazanium;propane-1-sulfonate
CID 139988404
Butane-1-sulfonate;hepta-1,6-dien-4-ylazanium
CID 139988409
(2S)-2-aminopent-4-ene-1-sulfonic acid
CID 156432066
3-Ethenyl-1,2-thiazolidine 1,1-dioxide
CID 11412458
N-pent-4-en-2-ylpropane-2-sulfonamide
CID 115632062

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide (CID 86232673) is 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide is C=CCC1CCS(=O)(=O)N1.
What is the InChIKey of 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QPXOTBSOVYGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-3-6-4-5-10(8,9)7-6/h2,6-7H,1,3-5H2.
What are the key properties of 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide?
3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 161.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 86232673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).