1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione

C17H27N5O4S — CID 131703748

IUPAC1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C17H27N5O4S/c1-11(2)22-13(4)16(12(3)18-22)27(25,26)20-8-6-14(7-9-20)21-10-15(23)19(5)17(21)24/h11,14H,6-10H2,1-5H3
InChIKeyGLXWJSDRUHEDHC-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.13
Rot. Bonds4

About 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione

1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 131703748) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
PubChem CID131703748
Molecular FormulaC17H27N5O4S
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C17H27N5O4S/c1-11(2)22-13(4)16(12(3)18-22)27(25,26)20-8-6-14(7-9-20)21-10-15(23)19(5)17(21)24/h11,14H,6-10H2,1-5H3
InChIKeyGLXWJSDRUHEDHC-UHFFFAOYSA-N
XLogP1.13
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 131703748) is 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is GLXWJSDRUHEDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-11(2)22-13(4)16(12(3)18-22)27(25,26)20-8-6-14(7-9-20)21-10-15(23)19(5)17(21)24/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?
1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 397.50 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 131703748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).