2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide

C9H18N2O2S — CID 67581596

IUPAC2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCN1CCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C9H18N2O2S/c1-2-10-6-4-9(8-10)11-5-3-7-14(11,12)13/h9H,2-8H2,1H3
InChIKeyDQIKADXFQCRFJV-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.12
Rot. Bonds2

About 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide

2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 67581596) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID67581596
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCN1CCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C9H18N2O2S/c1-2-10-6-4-9(8-10)11-5-3-7-14(11,12)13/h9H,2-8H2,1H3
InChIKeyDQIKADXFQCRFJV-UHFFFAOYSA-N
XLogP0.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359920
N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51359860
2-Butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359861
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
2-Cyclopentyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360717
2-Butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360718
N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide
CID 110753602
1-methyl-4-[(3S)-1-propylsulfonylpyrrolidin-3-yl]piperazine
CID 164636576
N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 23563421
N-methyl-N-(1-methylpyrrolidin-3-yl)methanesulfonamide
CID 57541035
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 57559262
N-(1-propan-2-ylpyrrolidin-3-yl)propane-2-sulfonamide
CID 58032238

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide (CID 67581596) is 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide is CCN1CCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DQIKADXFQCRFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-10-6-4-9(8-10)11-5-3-7-14(11,12)13/h9H,2-8H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67581596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).