2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide

C7H12ClNO2S — CID 77051539

IUPAC2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC=CCCl
InChIInChI=1S/C7H12ClNO2S/c8-4-1-2-5-9-6-3-7-12(9,10)11/h1-2H,3-7H2
InChIKeyLPRZNQSCRKMUQF-UHFFFAOYSA-N
MW209.70 g/mol
LogP0.82
Rot. Bonds3

About 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide

2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 77051539) has the molecular formula C7H12ClNO2S and a molecular weight of 209.70 g/mol. Its IUPAC name is 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID77051539
Molecular FormulaC7H12ClNO2S
Molecular Weight209.70 g/mol
Exact Mass209.03
IUPAC Name2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC=CCCl
InChIInChI=1S/C7H12ClNO2S/c8-4-1-2-5-9-6-3-7-12(9,10)11/h1-2H,3-7H2
InChIKeyLPRZNQSCRKMUQF-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 112560169
2-[(E)-4-chlorobut-2-enyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 130536670
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
CID 58573599
2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 47293917
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine
CID 62566554
2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
CID 14668524
2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 64995065
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide (CID 77051539) is 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CC=CCCl.
What is the InChIKey of 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LPRZNQSCRKMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2S/c8-4-1-2-5-9-6-3-7-12(9,10)11/h1-2H,3-7H2.
What are the key properties of 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide?
2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 209.70 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobut-2-enyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 77051539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).