1-pyrrolidin-1-ylsulfonylpiperidin-4-ol

C9H18N2O3S — CID 43502882

IUPAC1-pyrrolidin-1-ylsulfonylpiperidin-4-ol
SMILESO=S(=O)(N1CCCC1)N1CCC(O)CC1
InChIInChI=1S/C9H18N2O3S/c12-9-3-7-11(8-4-9)15(13,14)10-5-1-2-6-10/h9,12H,1-8H2
InChIKeyYGWGJJHVAICLOM-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.22
Rot. Bonds2

About 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol

1-pyrrolidin-1-ylsulfonylpiperidin-4-ol (PubChem CID 43502882) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-ylsulfonylpiperidin-4-ol
PubChem CID43502882
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-pyrrolidin-1-ylsulfonylpiperidin-4-ol
SMILESO=S(=O)(N1CCCC1)N1CCC(O)CC1
InChIInChI=1S/C9H18N2O3S/c12-9-3-7-11(8-4-9)15(13,14)10-5-1-2-6-10/h9,12H,1-8H2
InChIKeyYGWGJJHVAICLOM-UHFFFAOYSA-N
XLogP-0.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol?
The IUPAC name of 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol (CID 43502882) is 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol.
What is the SMILES notation for 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol?
The canonical SMILES for 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol is O=S(=O)(N1CCCC1)N1CCC(O)CC1.
What is the InChIKey of 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol?
The InChIKey is YGWGJJHVAICLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-9-3-7-11(8-4-9)15(13,14)10-5-1-2-6-10/h9,12H,1-8H2.
What are the key properties of 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol?
1-pyrrolidin-1-ylsulfonylpiperidin-4-ol has a molecular weight of 234.32 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylsulfonylpiperidin-4-ol is sourced from PubChem (CID 43502882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).