4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one

C11H20N2O3S — CID 117030056

IUPAC4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=O)N(CCC2CCNC2)C1=O
InChIInChI=1S/C11H20N2O3S/c1-11(2)8-17(15,16)13(10(11)14)6-4-9-3-5-12-7-9/h9,12H,3-8H2,1-2H3
InChIKeyJTSKNGSVVFQLNR-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.18
Rot. Bonds3

About 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one

4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one (PubChem CID 117030056) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one
PubChem CID117030056
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=O)N(CCC2CCNC2)C1=O
InChIInChI=1S/C11H20N2O3S/c1-11(2)8-17(15,16)13(10(11)14)6-4-9-3-5-12-7-9/h9,12H,3-8H2,1-2H3
InChIKeyJTSKNGSVVFQLNR-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one with MolForge

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Related Compounds

8-(Isobutylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 59577951
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345324
2-(2-Methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 153924111
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969
2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide
CID 164739907
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide
CID 49068184
1,1-Dioxo-1lambda6-thia-2,7-diazaspiro[4.4]nonan-6-one
CID 55280250
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide
CID 60604854
2-ethyl-N-(2-sulfamoylethyl)butanamide
CID 61129144
2-ethyl-N-(3-sulfamoylpropyl)butanamide
CID 61132731
3-ethyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
CID 63138809
3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
CID 63141905

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one?
The IUPAC name of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one (CID 117030056) is 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one is CC1(C)CS(=O)(=O)N(CCC2CCNC2)C1=O.
What is the InChIKey of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one?
The InChIKey is JTSKNGSVVFQLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2)8-17(15,16)13(10(11)14)6-4-9-3-5-12-7-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one?
4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one has a molecular weight of 260.36 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one is sourced from PubChem (CID 117030056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).