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

C12H21N3O3S — CID 62066251

IUPAC[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
SMILESCCn1cc(S(=O)(=O)N2CCCC(CO)C2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-14-8-12(13-10(14)2)19(17,18)15-6-4-5-11(7-15)9-16/h8,11,16H,3-7,9H2,1-2H3
InChIKeyRMDNTYZHLLZSSU-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.60
Rot. Bonds4

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

[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol (PubChem CID 62066251) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
PubChem CID62066251
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
SMILESCCn1cc(S(=O)(=O)N2CCCC(CO)C2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-14-8-12(13-10(14)2)19(17,18)15-6-4-5-11(7-15)9-16/h8,11,16H,3-7,9H2,1-2H3
InChIKeyRMDNTYZHLLZSSU-UHFFFAOYSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 62357127
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
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
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-1-propylimidazole
CID 63400626
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63878413

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol (CID 62066251) is [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol is CCn1cc(S(=O)(=O)N2CCCC(CO)C2)nc1C.
What is the InChIKey of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is RMDNTYZHLLZSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-14-8-12(13-10(14)2)19(17,18)15-6-4-5-11(7-15)9-16/h8,11,16H,3-7,9H2,1-2H3.
What are the key properties of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol?
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 287.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 62066251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).