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

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Related Compounds

7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 141064673
(3R)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10621006
2-[5-(trifluoromethylsulfonyl)thiophen-2-yl]pyridine
CID 70975076
1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146746
N-[(3S)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89236149
2-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine
CID 2820405
N-[5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238337
1-(2,6-dichlorophenyl)sulfonyl-4-(hydroxymethyl)azepan-4-ol
CID 56908943
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587373
1-[5-(3-aminophenyl)thiophen-2-yl]sulfonyl-4-pyridin-3-ylpiperidin-4-ol
CID 171913007

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).