4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol

C13H24N2O3S — CID 60968587

IUPAC4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C13H24N2O3S/c16-13-10-19(17,18)9-12(13)15-7-5-14(6-8-15)11-3-1-2-4-11/h11-13,16H,1-10H2
InChIKeyVFWNXXQWEVGPDK-UHFFFAOYSA-N
MW288.41 g/mol
LogP-0.30
Rot. Bonds2

About 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol

4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol (PubChem CID 60968587) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
PubChem CID60968587
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C13H24N2O3S/c16-13-10-19(17,18)9-12(13)15-7-5-14(6-8-15)11-3-1-2-4-11/h11-13,16H,1-10H2
InChIKeyVFWNXXQWEVGPDK-UHFFFAOYSA-N
XLogP-0.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

(3S,4S)-4-(aziridin-1-yl)-1,1-dioxothiolan-3-ol
CID 6357828
1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
CID 63170950
4-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carbaldehyde
CID 99976976
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 60666013
(3S,4S)-4-(1,4-diazepan-1-yl)-1,1-dioxothiolan-3-ol
CID 126846760
2-[4-(4-hydroxy-1,1-dioxothiolan-3-yl)piperazin-1-yl]propanenitrile
CID 63339027
(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol
CID 97219275
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidin-3-ol
CID 103728756
4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
CID 21179780
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
CID 66371342
tert-butyl 4-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carboxylate
CID 29105261

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol (CID 60968587) is 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(N2CCN(C3CCCC3)CC2)C1.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is VFWNXXQWEVGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-13-10-19(17,18)9-12(13)15-7-5-14(6-8-15)11-3-1-2-4-11/h11-13,16H,1-10H2.
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol?
4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 288.41 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60968587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).