2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide

C7H14FNO2S — CID 130708283

IUPAC2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(F)CCN1CCCS1(=O)=O
InChIInChI=1S/C7H14FNO2S/c1-7(8)3-5-9-4-2-6-12(9,10)11/h7H,2-6H2,1H3
InChIKeyCBUXVJZTLWBYNT-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds3

About 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide

2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 130708283) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID130708283
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(F)CCN1CCCS1(=O)=O
InChIInChI=1S/C7H14FNO2S/c1-7(8)3-5-9-4-2-6-12(9,10)11/h7H,2-6H2,1H3
InChIKeyCBUXVJZTLWBYNT-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide (CID 130708283) is 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide is CC(F)CCN1CCCS1(=O)=O.
What is the InChIKey of 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CBUXVJZTLWBYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-7(8)3-5-9-4-2-6-12(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide?
2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 195.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobutyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 130708283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).