4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine

C14H23N3O2S — CID 110198119

IUPAC4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCC(n2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-20(18,19)16-8-6-13(7-9-16)17-11(2)10-15-14(17)12-4-5-12/h10,12-13H,3-9H2,1-2H3
InChIKeyBAUWNJADBAITPX-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.06
Rot. Bonds4

About 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine

4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine (PubChem CID 110198119) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine
PubChem CID110198119
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCC(n2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-20(18,19)16-8-6-13(7-9-16)17-11(2)10-15-14(17)12-4-5-12/h10,12-13H,3-9H2,1-2H3
InChIKeyBAUWNJADBAITPX-UHFFFAOYSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine?
The IUPAC name of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine (CID 110198119) is 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine.
What is the SMILES notation for 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine?
The canonical SMILES for 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine is CCS(=O)(=O)N1CCC(n2c(C)cnc2C2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine?
The InChIKey is BAUWNJADBAITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-20(18,19)16-8-6-13(7-9-16)17-11(2)10-15-14(17)12-4-5-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine?
4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-ethylsulfonylpiperidine is sourced from PubChem (CID 110198119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).