1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol

C11H19N3O3S — CID 102959041

IUPAC1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol
SMILESCCc1ncc(S(=O)(=O)N2CCC(C)C(O)C2)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-3-10-12-6-11(13-10)18(16,17)14-5-4-8(2)9(15)7-14/h6,8-9,15H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyOKESLLMHUAKQCO-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.36
Rot. Bonds3

About 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol (PubChem CID 102959041) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol
PubChem CID102959041
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol
SMILESCCc1ncc(S(=O)(=O)N2CCC(C)C(O)C2)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-3-10-12-6-11(13-10)18(16,17)14-5-4-8(2)9(15)7-14/h6,8-9,15H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyOKESLLMHUAKQCO-UHFFFAOYSA-N
XLogP0.36
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
CID 114082404
2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 64596839
3-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170789
2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561063
4-(2-chloroethoxy)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 82701864
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol
CID 103357441
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131902416
(1S,9S)-11-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118769637
1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102964418
2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole
CID 131934260
5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole
CID 121499650
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896804

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol (CID 102959041) is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol is CCc1ncc(S(=O)(=O)N2CCC(C)C(O)C2)[nH]1.
What is the InChIKey of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol?
The InChIKey is OKESLLMHUAKQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-10-12-6-11(13-10)18(16,17)14-5-4-8(2)9(15)7-14/h6,8-9,15H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol?
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol has a molecular weight of 273.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).