2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide

C9H18N2O2S — CID 63623829

IUPAC2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCC1CCNC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-1-5-11(14)6-3-9-2-4-10-8-9/h9-10H,1-8H2
InChIKeyJINIANHOLCKRNW-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.02
Rot. Bonds3

About 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide

2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 63623829) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID63623829
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCC1CCNC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-1-5-11(14)6-3-9-2-4-10-8-9/h9-10H,1-8H2
InChIKeyJINIANHOLCKRNW-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Piperidin-4-yl)ethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 20434917
2-(2-(Piperidin-4-yl)ethyl)isothiazolidine 1,1-dioxide
CID 20434876
4,4,4-trifluoro-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 83057931
2-{[(2r)-Pyrrolidin-2-yl]methyl}-1lambda6,2-thiazolidine-1,1-dione
CID 93958187
2-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 113636219
3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide
CID 119976917
4,4,4-trifluoro-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide;hydrochloride
CID 121606278
4-(Fluoromethyl)-1-pyrrolidin-3-ylsulfonylpiperidine
CID 168026049
2-[(Piperidin-4-yl)methyl]-1lambda6,2-thiazolidine-1,1-dione
CID 20434887
4-(3-Methylpyrrolidin-1-yl)sulfonylpiperidine
CID 61547904
3-(Cyclopentylmethylamino)propane-1-sulfonamide
CID 62071058
2-(Ethylsulfonyl)-2,7-diazaspiro[4.4]nonane
CID 66745385

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide (CID 63623829) is 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CCC1CCNC1.
What is the InChIKey of 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JINIANHOLCKRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)7-1-5-11(14)6-3-9-2-4-10-8-9/h9-10H,1-8H2.
What are the key properties of 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide?
2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 63623829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).