2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C15H20N2O6S2 — CID 110311400

IUPAC2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H20N2O6S2/c18-11-12-2-1-8-16(10-12)25(22,23)14-5-3-13(4-6-14)17-15(19)7-9-24(17,20)21/h3-6,12,18H,1-2,7-11H2
InChIKeyPVWLOLLFULZHJZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.15
Rot. Bonds4

About 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 110311400) has the molecular formula C15H20N2O6S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID110311400
Molecular FormulaC15H20N2O6S2
Molecular Weight388.47 g/mol
Exact Mass388.08
IUPAC Name2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H20N2O6S2/c18-11-12-2-1-8-16(10-12)25(22,23)14-5-3-13(4-6-14)17-15(19)7-9-24(17,20)21/h3-6,12,18H,1-2,7-11H2
InChIKeyPVWLOLLFULZHJZ-UHFFFAOYSA-N
XLogP0.15
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695230
1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
CID 22694442
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343269
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20896758
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
CID 65207002
1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 46966806

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 110311400) is 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is PVWLOLLFULZHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S2/c18-11-12-2-1-8-16(10-12)25(22,23)14-5-3-13(4-6-14)17-15(19)7-9-24(17,20)21/h3-6,12,18H,1-2,7-11H2.
What are the key properties of 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 388.47 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 110311400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).