2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide

C11H22N2O2S — CID 51359861

IUPAC2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCCC2)CS1(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-2-3-8-13-9-11(10-16(13,14)15)12-6-4-5-7-12/h11H,2-10H2,1H3
InChIKeyIQJPXMNBPCLIHP-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.90
Rot. Bonds4

About 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide

2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359861) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51359861
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCCC2)CS1(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-2-3-8-13-9-11(10-16(13,14)15)12-6-4-5-7-12/h11H,2-10H2,1H3
InChIKeyIQJPXMNBPCLIHP-UHFFFAOYSA-N
XLogP0.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51359861) is 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is CCCCN1CC(N2CCCC2)CS1(=O)=O.
What is the InChIKey of 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IQJPXMNBPCLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-3-8-13-9-11(10-16(13,14)15)12-6-4-5-7-12/h11H,2-10H2,1H3.
What are the key properties of 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 246.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).