[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone

C23H35N3O5S2 — CID 55385197

IUPAC[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)CC2)c(C)c1
InChIInChI=1S/C23H35N3O5S2/c1-17-14-18(2)22(19(3)15-17)33(30,31)26-7-4-20(5-8-26)23(27)25-11-9-24(10-12-25)21-6-13-32(28,29)16-21/h14-15,20-21H,4-13,16H2,1-3H3
InChIKeyCXRJVIUDRMQHCS-UHFFFAOYSA-N
MW497.68 g/mol
LogP1.34
Rot. Bonds4

About [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone

[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 55385197) has the molecular formula C23H35N3O5S2 and a molecular weight of 497.68 g/mol. Its IUPAC name is [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID55385197
Molecular FormulaC23H35N3O5S2
Molecular Weight497.68 g/mol
Exact Mass497.20
IUPAC Name[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)CC2)c(C)c1
InChIInChI=1S/C23H35N3O5S2/c1-17-14-18(2)22(19(3)15-17)33(30,31)26-7-4-20(5-8-26)23(27)25-11-9-24(10-12-25)21-6-13-32(28,29)16-21/h14-15,20-21H,4-13,16H2,1-3H3
InChIKeyCXRJVIUDRMQHCS-UHFFFAOYSA-N
XLogP1.34
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 96558238
(3S)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818175
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55385020
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 26068581
2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455339
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55511723
(4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24667244
(3S)-3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818275
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 55385193
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 9087044
[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 9087043

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 55385197) is [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)CC2)c(C)c1.
What is the InChIKey of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is CXRJVIUDRMQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S2/c1-17-14-18(2)22(19(3)15-17)33(30,31)26-7-4-20(5-8-26)23(27)25-11-9-24(10-12-25)21-6-13-32(28,29)16-21/h14-15,20-21H,4-13,16H2,1-3H3.
What are the key properties of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 497.68 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 55385197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).