1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol

C8H13N3O3S — CID 102691721

IUPAC1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(c1ccn[nH]1)N1CCCC(O)C1
InChIInChI=1S/C8H13N3O3S/c12-7-2-1-5-11(6-7)15(13,14)8-3-4-9-10-8/h3-4,7,12H,1-2,5-6H2,(H,9,10)
InChIKeyRDCNPRBXJDUJDK-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.44
Rot. Bonds2

About 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol

1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol (PubChem CID 102691721) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol
PubChem CID102691721
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(c1ccn[nH]1)N1CCCC(O)C1
InChIInChI=1S/C8H13N3O3S/c12-7-2-1-5-11(6-7)15(13,14)8-3-4-9-10-8/h3-4,7,12H,1-2,5-6H2,(H,9,10)
InChIKeyRDCNPRBXJDUJDK-UHFFFAOYSA-N
XLogP-0.44
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol (CID 102691721) is 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol is O=S(=O)(c1ccn[nH]1)N1CCCC(O)C1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol?
The InChIKey is RDCNPRBXJDUJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c12-7-2-1-5-11(6-7)15(13,14)8-3-4-9-10-8/h3-4,7,12H,1-2,5-6H2,(H,9,10).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol?
1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol has a molecular weight of 231.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 102691721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).