4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one

C13H20N2O3S — CID 140620730

IUPAC4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one
SMILESCC(C)c1ccc(S(O)(O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)11-3-5-12(6-4-11)19(17,18)15-8-7-14-13(16)9-15/h3-6,10,17-18H,7-9H2,1-2H3,(H,14,16)
InChIKeyXLPXANXLTXJBBM-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.27
Rot. Bonds3

About 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one

4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one (PubChem CID 140620730) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one.

Molecular Properties

Compound Name4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one
PubChem CID140620730
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one
SMILESCC(C)c1ccc(S(O)(O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)11-3-5-12(6-4-11)19(17,18)15-8-7-14-13(16)9-15/h3-6,10,17-18H,7-9H2,1-2H3,(H,14,16)
InChIKeyXLPXANXLTXJBBM-UHFFFAOYSA-N
XLogP2.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one?
The IUPAC name of 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one (CID 140620730) is 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one.
What is the SMILES notation for 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one?
The canonical SMILES for 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one is CC(C)c1ccc(S(O)(O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one?
The InChIKey is XLPXANXLTXJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)11-3-5-12(6-4-11)19(17,18)15-8-7-14-13(16)9-15/h3-6,10,17-18H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one?
4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one has a molecular weight of 284.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfanyl]piperazin-2-one is sourced from PubChem (CID 140620730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).