1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine

C16H23N3O2S2 — CID 131915928

IUPAC1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine
SMILESCCc1ncc(S(=O)(=O)N2CCCCC2CCc2cccs2)[nH]1
InChIInChI=1S/C16H23N3O2S2/c1-2-15-17-12-16(18-15)23(20,21)19-10-4-3-6-13(19)8-9-14-7-5-11-22-14/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,17,18)
InChIKeyVMJIERVAFKTWTF-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.21
Rot. Bonds6

About 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine (PubChem CID 131915928) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine
PubChem CID131915928
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine
SMILESCCc1ncc(S(=O)(=O)N2CCCCC2CCc2cccs2)[nH]1
InChIInChI=1S/C16H23N3O2S2/c1-2-15-17-12-16(18-15)23(20,21)19-10-4-3-6-13(19)8-9-14-7-5-11-22-14/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,17,18)
InChIKeyVMJIERVAFKTWTF-UHFFFAOYSA-N
XLogP3.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80676618
1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine
CID 70768696
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80675568
2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561063
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283
1-methyl-6-[[(2R)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048562
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167
2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
CID 79489459
4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885531
(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 28954884
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine (CID 131915928) is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine is CCc1ncc(S(=O)(=O)N2CCCCC2CCc2cccs2)[nH]1.
What is the InChIKey of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is VMJIERVAFKTWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-2-15-17-12-16(18-15)23(20,21)19-10-4-3-6-13(19)8-9-14-7-5-11-22-14/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,17,18).
What are the key properties of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine?
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 353.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 131915928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).