3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione

C11H18N2O4S2 — CID 121157204

IUPAC3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
SMILESCCCS(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C11H18N2O4S2/c1-2-7-19(16,17)12-5-3-9(4-6-12)13-10(14)8-18-11(13)15/h9H,2-8H2,1H3
InChIKeyBHPVEMGFQIZIQI-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.89
Rot. Bonds4

About 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione

3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 121157204) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
PubChem CID121157204
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
SMILESCCCS(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C11H18N2O4S2/c1-2-7-19(16,17)12-5-3-9(4-6-12)13-10(14)8-18-11(13)15/h9H,2-8H2,1H3
InChIKeyBHPVEMGFQIZIQI-UHFFFAOYSA-N
XLogP0.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 113083115
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157239
1-propylsulfonyl-4-pyrazol-1-ylpiperidine
CID 110871195
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863703
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121157013

Frequently Asked Questions

What is the IUPAC name of 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione (CID 121157204) is 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione is CCCS(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1.
What is the InChIKey of 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is BHPVEMGFQIZIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-2-7-19(16,17)12-5-3-9(4-6-12)13-10(14)8-18-11(13)15/h9H,2-8H2,1H3.
What are the key properties of 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 306.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121157204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).