2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol

C13H23N3O3S — CID 62357127

IUPAC2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
SMILESCCn1cc(S(=O)(=O)N2CCCC(CCO)C2)nc1C
InChIInChI=1S/C13H23N3O3S/c1-3-15-10-13(14-11(15)2)20(18,19)16-7-4-5-12(9-16)6-8-17/h10,12,17H,3-9H2,1-2H3
InChIKeyPBZWCTPTXRJMFO-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.99
Rot. Bonds5

About 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol

2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 62357127) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
PubChem CID62357127
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
SMILESCCn1cc(S(=O)(=O)N2CCCC(CCO)C2)nc1C
InChIInChI=1S/C13H23N3O3S/c1-3-15-10-13(14-11(15)2)20(18,19)16-7-4-5-12(9-16)6-8-17/h10,12,17H,3-9H2,1-2H3
InChIKeyPBZWCTPTXRJMFO-UHFFFAOYSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanone
CID 63846427
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041861
methyl (3S)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 115536277
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79409931
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
CID 62065706
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]propanoic acid
CID 62062092
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63877731
(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
CID 104974999
5-ethyl-2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268482
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol (CID 62357127) is 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol is CCn1cc(S(=O)(=O)N2CCCC(CCO)C2)nc1C.
What is the InChIKey of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is PBZWCTPTXRJMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-15-10-13(14-11(15)2)20(18,19)16-7-4-5-12(9-16)6-8-17/h10,12,17H,3-9H2,1-2H3.
What are the key properties of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 301.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 62357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).