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

C15H20N2O5S2 — CID 22695230

IUPAC2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1
InChIInChI=1S/C15H20N2O5S2/c1-12-3-2-9-16(11-12)24(21,22)14-6-4-13(5-7-14)17-15(18)8-10-23(17,19)20/h4-7,12H,2-3,8-11H2,1H3
InChIKeyYDPWNADMRHXIRY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.17
Rot. Bonds3

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

2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 22695230) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID22695230
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC Name2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1
InChIInChI=1S/C15H20N2O5S2/c1-12-3-2-9-16(11-12)24(21,22)14-6-4-13(5-7-14)17-15(18)8-10-23(17,19)20/h4-7,12H,2-3,8-11H2,1H3
InChIKeyYDPWNADMRHXIRY-UHFFFAOYSA-N
XLogP1.17
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110311400
1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
CID 22694442
1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 42347051
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 22695230) is 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1.
What is the InChIKey of 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is YDPWNADMRHXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c1-12-3-2-9-16(11-12)24(21,22)14-6-4-13(5-7-14)17-15(18)8-10-23(17,19)20/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 372.47 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 22695230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).