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

C15H21N3O5S2 — CID 22695035

IUPAC2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H21N3O5S2/c1-12-3-4-13(18-15(19)5-10-24(18,20)21)11-14(12)25(22,23)17-8-6-16(2)7-9-17/h3-4,11H,5-10H2,1-2H3
InChIKeyZMBJVSYVZQPLRD-UHFFFAOYSA-N
MW387.48 g/mol
LogP-0.00
Rot. Bonds3

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

2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 22695035) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID22695035
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC Name2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H21N3O5S2/c1-12-3-4-13(18-15(19)5-10-24(18,20)21)11-14(12)25(22,23)17-8-6-16(2)7-9-17/h3-4,11H,5-10H2,1-2H3
InChIKeyZMBJVSYVZQPLRD-UHFFFAOYSA-N
XLogP-0.00
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20897639
ethyl 4-[2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 21004692
2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343274
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
CID 16641363
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110306774
N-(2-ethylphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995978
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695075
1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
CID 22694442
N-[(4-fluorophenyl)methyl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995937
N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996033
2-[4-methoxy-3-[(2-methyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694381

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 22695035) is 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is ZMBJVSYVZQPLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-12-3-4-13(18-15(19)5-10-24(18,20)21)11-14(12)25(22,23)17-8-6-16(2)7-9-17/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 387.48 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 22695035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).