3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C22H30N4O5S — CID 24818381

IUPAC3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1
InChIInChI=1S/C22H30N4O5S/c1-16(2)17-5-7-18(8-6-17)32(30,31)25-13-11-24(12-14-25)19(27)15-26-20(28)22(23-21(26)29)9-3-4-10-22/h5-8,16H,3-4,9-15H2,1-2H3,(H,23,29)
InChIKeyYMHZCLLWIIXFLS-UHFFFAOYSA-N
MW462.57 g/mol
LogP1.51
Rot. Bonds5

About 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 24818381) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID24818381
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1
InChIInChI=1S/C22H30N4O5S/c1-16(2)17-5-7-18(8-6-17)32(30,31)25-13-11-24(12-14-25)19(27)15-26-20(28)22(23-21(26)29)9-3-4-10-22/h5-8,16H,3-4,9-15H2,1-2H3,(H,23,29)
InChIKeyYMHZCLLWIIXFLS-UHFFFAOYSA-N
XLogP1.51
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 24818381) is 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1.
What is the InChIKey of 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is YMHZCLLWIIXFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-16(2)17-5-7-18(8-6-17)32(30,31)25-13-11-24(12-14-25)19(27)15-26-20(28)22(23-21(26)29)9-3-4-10-22/h5-8,16H,3-4,9-15H2,1-2H3,(H,23,29).
What are the key properties of 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 462.57 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 24818381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).