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

C18H27N3O2S2 — CID 71781121

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)s1
InChIInChI=1S/C18H27N3O2S2/c1-4-16-5-6-17(24-16)25(22,23)21-10-7-15(8-11-21)13-20-12-9-19-18(20)14(2)3/h5-6,9,12,14-15H,4,7-8,10-11,13H2,1-3H3
InChIKeyOZLYIQBQGYZXGR-UHFFFAOYSA-N
MW381.57 g/mol
LogP3.73
Rot. Bonds6

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

1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (PubChem CID 71781121) has the molecular formula C18H27N3O2S2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
PubChem CID71781121
Molecular FormulaC18H27N3O2S2
Molecular Weight381.57 g/mol
Exact Mass381.15
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)s1
InChIInChI=1S/C18H27N3O2S2/c1-4-16-5-6-17(24-16)25(22,23)21-10-7-15(8-11-21)13-20-12-9-19-18(20)14(2)3/h5-6,9,12,14-15H,4,7-8,10-11,13H2,1-3H3
InChIKeyOZLYIQBQGYZXGR-UHFFFAOYSA-N
XLogP3.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (CID 71781121) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is CCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The InChIKey is OZLYIQBQGYZXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S2/c1-4-16-5-6-17(24-16)25(22,23)21-10-7-15(8-11-21)13-20-12-9-19-18(20)14(2)3/h5-6,9,12,14-15H,4,7-8,10-11,13H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine has a molecular weight of 381.57 g/mol, XLogP of 3.73, 6 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-propan-2-ylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 71781121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).