1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine

C16H23N3O2S2 — CID 90494813

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C)CC2)s1
InChIInChI=1S/C16H23N3O2S2/c1-3-15-4-5-16(22-15)23(20,21)19-9-6-14(7-10-19)12-18-11-8-17-13(18)2/h4-5,8,11,14H,3,6-7,9-10,12H2,1-2H3
InChIKeyGGPYLYOEBJSIPD-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.92
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine (PubChem CID 90494813) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine
PubChem CID90494813
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C)CC2)s1
InChIInChI=1S/C16H23N3O2S2/c1-3-15-4-5-16(22-15)23(20,21)19-9-6-14(7-10-19)12-18-11-8-17-13(18)2/h4-5,8,11,14H,3,6-7,9-10,12H2,1-2H3
InChIKeyGGPYLYOEBJSIPD-UHFFFAOYSA-N
XLogP2.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534071
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338861
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
CID 110639091
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160
4-[(2-methylimidazol-1-yl)methyl]-1-(2-nitrophenyl)sulfonylpiperidine
CID 90494802
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine (CID 90494813) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine is CCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The InChIKey is GGPYLYOEBJSIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-3-15-4-5-16(22-15)23(20,21)19-9-6-14(7-10-19)12-18-11-8-17-13(18)2/h4-5,8,11,14H,3,6-7,9-10,12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine has a molecular weight of 353.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).