1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine

C12H17N3O2S2 — CID 53072000

IUPAC1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine
SMILESO=S(=O)(c1cccs1)N1CCN=C1N1CCCCC1
InChIInChI=1S/C12H17N3O2S2/c16-19(17,11-5-4-10-18-11)15-9-6-13-12(15)14-7-2-1-3-8-14/h4-5,10H,1-3,6-9H2
InChIKeyXUOQZOIWPCCWSL-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.59
Rot. Bonds2

About 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine

1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine (PubChem CID 53072000) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine
PubChem CID53072000
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine
SMILESO=S(=O)(c1cccs1)N1CCN=C1N1CCCCC1
InChIInChI=1S/C12H17N3O2S2/c16-19(17,11-5-4-10-18-11)15-9-6-13-12(15)14-7-2-1-3-8-14/h4-5,10H,1-3,6-9H2
InChIKeyXUOQZOIWPCCWSL-UHFFFAOYSA-N
XLogP1.59
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-thiophen-2-ylsulfonylpiperidine
CID 765823
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
CID 110361536
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 131655186
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 56527498

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine?
The IUPAC name of 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine (CID 53072000) is 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine.
What is the SMILES notation for 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine?
The canonical SMILES for 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine is O=S(=O)(c1cccs1)N1CCN=C1N1CCCCC1.
What is the InChIKey of 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine?
The InChIKey is XUOQZOIWPCCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c16-19(17,11-5-4-10-18-11)15-9-6-13-12(15)14-7-2-1-3-8-14/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine?
1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine has a molecular weight of 299.42 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine is sourced from PubChem (CID 53072000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).