1-imidazol-1-ylsulfonylpiperidin-4-ol

C8H13N3O3S — CID 68916643

IUPAC1-imidazol-1-ylsulfonylpiperidin-4-ol
SMILESO=S(=O)(N1CCC(O)CC1)n1ccnc1
InChIInChI=1S/C8H13N3O3S/c12-8-1-4-10(5-2-8)15(13,14)11-6-3-9-7-11/h3,6-8,12H,1-2,4-5H2
InChIKeyQYHMDWSOKNFBMC-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.57
Rot. Bonds2

About 1-imidazol-1-ylsulfonylpiperidin-4-ol

1-imidazol-1-ylsulfonylpiperidin-4-ol (PubChem CID 68916643) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-imidazol-1-ylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-imidazol-1-ylsulfonylpiperidin-4-ol
PubChem CID68916643
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-imidazol-1-ylsulfonylpiperidin-4-ol
SMILESO=S(=O)(N1CCC(O)CC1)n1ccnc1
InChIInChI=1S/C8H13N3O3S/c12-8-1-4-10(5-2-8)15(13,14)11-6-3-9-7-11/h3,6-8,12H,1-2,4-5H2
InChIKeyQYHMDWSOKNFBMC-UHFFFAOYSA-N
XLogP-0.57
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylsulfonylpiperidin-4-ol?
The IUPAC name of 1-imidazol-1-ylsulfonylpiperidin-4-ol (CID 68916643) is 1-imidazol-1-ylsulfonylpiperidin-4-ol.
What is the SMILES notation for 1-imidazol-1-ylsulfonylpiperidin-4-ol?
The canonical SMILES for 1-imidazol-1-ylsulfonylpiperidin-4-ol is O=S(=O)(N1CCC(O)CC1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylsulfonylpiperidin-4-ol?
The InChIKey is QYHMDWSOKNFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c12-8-1-4-10(5-2-8)15(13,14)11-6-3-9-7-11/h3,6-8,12H,1-2,4-5H2.
What are the key properties of 1-imidazol-1-ylsulfonylpiperidin-4-ol?
1-imidazol-1-ylsulfonylpiperidin-4-ol has a molecular weight of 231.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylsulfonylpiperidin-4-ol is sourced from PubChem (CID 68916643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).