(3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine

C18H19N3O2S2 — CID 164640435

IUPAC(3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C18H19N3O2S2/c22-25(23,17-9-5-11-24-17)21-10-4-8-15(13-21)18-19-12-16(20-18)14-6-2-1-3-7-14/h1-3,5-7,9,11-12,15H,4,8,10,13H2,(H,19,20)/t15-/m0/s1
InChIKeyUYMPOOCWRVIQIQ-HNNXBMFYSA-N
MW373.50 g/mol
LogP3.71
Rot. Bonds4

About (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine

(3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 164640435) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine
PubChem CID164640435
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name(3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C18H19N3O2S2/c22-25(23,17-9-5-11-24-17)21-10-4-8-15(13-21)18-19-12-16(20-18)14-6-2-1-3-7-14/h1-3,5-7,9,11-12,15H,4,8,10,13H2,(H,19,20)/t15-/m0/s1
InChIKeyUYMPOOCWRVIQIQ-HNNXBMFYSA-N
XLogP3.71
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine (CID 164640435) is (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is UYMPOOCWRVIQIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-25(23,17-9-5-11-24-17)21-10-4-8-15(13-21)18-19-12-16(20-18)14-6-2-1-3-7-14/h1-3,5-7,9,11-12,15H,4,8,10,13H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine?
(3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 373.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-phenyl-1H-imidazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 164640435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).