5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione

C14H21N5O4S — CID 56706575

IUPAC5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(S(=O)(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)cn1
InChIInChI=1S/C14H21N5O4S/c1-3-18-9-11(8-15-18)24(22,23)19-6-4-10(5-7-19)14(2)12(20)16-13(21)17-14/h8-10H,3-7H2,1-2H3,(H2,16,17,20,21)
InChIKeyCTZMUZPUPUOAPI-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.10
Rot. Bonds4

About 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 56706575) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID56706575
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Name5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(S(=O)(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)cn1
InChIInChI=1S/C14H21N5O4S/c1-3-18-9-11(8-15-18)24(22,23)19-6-4-10(5-7-19)14(2)12(20)16-13(21)17-14/h8-10H,3-7H2,1-2H3,(H2,16,17,20,21)
InChIKeyCTZMUZPUPUOAPI-UHFFFAOYSA-N
XLogP-0.10
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 56706575) is 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione is CCn1cc(S(=O)(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)cn1.
What is the InChIKey of 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CTZMUZPUPUOAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-3-18-9-11(8-15-18)24(22,23)19-6-4-10(5-7-19)14(2)12(20)16-13(21)17-14/h8-10H,3-7H2,1-2H3,(H2,16,17,20,21).
What are the key properties of 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 355.42 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 56706575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).