3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine

C16H23N3O3S2 — CID 70783584

IUPAC3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine
SMILESCOCCn1ccnc1C1CCCN(S(=O)(=O)c2cc(C)cs2)C1
InChIInChI=1S/C16H23N3O3S2/c1-13-10-15(23-12-13)24(20,21)19-6-3-4-14(11-19)16-17-5-7-18(16)8-9-22-2/h5,7,10,12,14H,3-4,6,8-9,11H2,1-2H3
InChIKeySULLUNBMYUGUOU-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.47
Rot. Bonds6

About 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine

3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine (PubChem CID 70783584) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine
PubChem CID70783584
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC Name3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine
SMILESCOCCn1ccnc1C1CCCN(S(=O)(=O)c2cc(C)cs2)C1
InChIInChI=1S/C16H23N3O3S2/c1-13-10-15(23-12-13)24(20,21)19-6-3-4-14(11-19)16-17-5-7-18(16)8-9-22-2/h5,7,10,12,14H,3-4,6,8-9,11H2,1-2H3
InChIKeySULLUNBMYUGUOU-UHFFFAOYSA-N
XLogP2.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
CID 70733113
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 97138196
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97277241
(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 72893126
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine (CID 70783584) is 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine is COCCn1ccnc1C1CCCN(S(=O)(=O)c2cc(C)cs2)C1.
What is the InChIKey of 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is SULLUNBMYUGUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-13-10-15(23-12-13)24(20,21)19-6-3-4-14(11-19)16-17-5-7-18(16)8-9-22-2/h5,7,10,12,14H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine?
3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 369.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 70783584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).