4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol

C15H18N2O4S2 — CID 56754287

IUPAC4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(-c2ccccn2)s1)N1CCC(O)(CO)CC1
InChIInChI=1S/C15H18N2O4S2/c18-11-15(19)6-9-17(10-7-15)23(20,21)14-5-4-13(22-14)12-3-1-2-8-16-12/h1-5,8,18-19H,6-7,9-11H2
InChIKeyMZEZFNYKWJLAGD-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.32
Rot. Bonds4

About 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol

4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol (PubChem CID 56754287) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
PubChem CID56754287
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(-c2ccccn2)s1)N1CCC(O)(CO)CC1
InChIInChI=1S/C15H18N2O4S2/c18-11-15(19)6-9-17(10-7-15)23(20,21)14-5-4-13(22-14)12-3-1-2-8-16-12/h1-5,8,18-19H,6-7,9-11H2
InChIKeyMZEZFNYKWJLAGD-UHFFFAOYSA-N
XLogP1.32
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol (CID 56754287) is 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol is O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCC(O)(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol?
The InChIKey is MZEZFNYKWJLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c18-11-15(19)6-9-17(10-7-15)23(20,21)14-5-4-13(22-14)12-3-1-2-8-16-12/h1-5,8,18-19H,6-7,9-11H2.
What are the key properties of 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol?
4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol has a molecular weight of 354.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 56754287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).