2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine

C18H20N4O2S2 — CID 97277241

IUPAC2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESO=S(=O)(c1cccs1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-7-4-12-25-17)22-10-3-5-15(13-22)18-20-9-11-21(18)14-16-6-1-2-8-19-16/h1-2,4,6-9,11-12,15H,3,5,10,13-14H2/t15-/m0/s1
InChIKeyBOKHDQMSJMCAHL-HNNXBMFYSA-N
MW388.52 g/mol
LogP2.96
Rot. Bonds5

About 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine

2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 97277241) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID97277241
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESO=S(=O)(c1cccs1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-7-4-12-25-17)22-10-3-5-15(13-22)18-20-9-11-21(18)14-16-6-1-2-8-19-16/h1-2,4,6-9,11-12,15H,3,5,10,13-14H2/t15-/m0/s1
InChIKeyBOKHDQMSJMCAHL-HNNXBMFYSA-N
XLogP2.96
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
6-(pyridin-2-ylmethyl)-3-thiophen-2-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 156606155
(1S,5R)-6-(pyridin-2-ylmethyl)-3-thiophen-2-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72845325
5-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97117798
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281633
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138
(2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270135
(2-methoxy-4-pyridinyl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270134
(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72909128
1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97155832

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 97277241) is 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is O=S(=O)(c1cccs1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1.
What is the InChIKey of 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is BOKHDQMSJMCAHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-26(24,17-7-4-12-25-17)22-10-3-5-15(13-22)18-20-9-11-21(18)14-16-6-1-2-8-19-16/h1-2,4,6-9,11-12,15H,3,5,10,13-14H2/t15-/m0/s1.
What are the key properties of 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 388.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 97277241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).