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

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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).