4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine

C17H25N3O2S2 — CID 90494131

IUPAC4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3CC)CC2)s1
InChIInChI=1S/C17H25N3O2S2/c1-3-15-5-6-17(23-15)24(21,22)20-10-7-14(8-11-20)13-19-12-9-18-16(19)4-2/h5-6,9,12,14H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyDMDISYJQSSJALY-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.17
Rot. Bonds6

About 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine

4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine (PubChem CID 90494131) has the molecular formula C17H25N3O2S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
PubChem CID90494131
Molecular FormulaC17H25N3O2S2
Molecular Weight367.54 g/mol
Exact Mass367.14
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3CC)CC2)s1
InChIInChI=1S/C17H25N3O2S2/c1-3-15-5-6-17(23-15)24(21,22)20-10-7-14(8-11-20)13-19-12-9-18-16(19)4-2/h5-6,9,12,14H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyDMDISYJQSSJALY-UHFFFAOYSA-N
XLogP3.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine (CID 90494131) is 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine is CCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3CC)CC2)s1.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is DMDISYJQSSJALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S2/c1-3-15-5-6-17(23-15)24(21,22)20-10-7-14(8-11-20)13-19-12-9-18-16(19)4-2/h5-6,9,12,14H,3-4,7-8,10-11,13H2,1-2H3.
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine?
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 367.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 90494131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).