1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C19H31N3O4S2 — CID 6499791

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C19H31N3O4S2/c1-15-5-7-21(8-6-15)28(25,26)22-11-9-20(10-12-22)27(23,24)19-17(3)13-16(2)14-18(19)4/h13-15H,5-12H2,1-4H3
InChIKeyXXGHWSSEWFXFHQ-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.89
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 6499791) has the molecular formula C19H31N3O4S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID6499791
Molecular FormulaC19H31N3O4S2
Molecular Weight429.61 g/mol
Exact Mass429.18
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C19H31N3O4S2/c1-15-5-7-21(8-6-15)28(25,26)22-11-9-20(10-12-22)27(23,24)19-17(3)13-16(2)14-18(19)4/h13-15H,5-12H2,1-4H3
InChIKeyXXGHWSSEWFXFHQ-UHFFFAOYSA-N
XLogP1.89
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine 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

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408
1-(Mesitylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 118308425
3-(4-(Mesitylsulfonyl)piperazin-1-yl)quinuclidine
CID 118308432
2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
CID 146627889
2,4,6-trimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]benzenesulfonamide
CID 146627892
4-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 991615

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 6499791) is 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c(C)c1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is XXGHWSSEWFXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S2/c1-15-5-7-21(8-6-15)28(25,26)22-11-9-20(10-12-22)27(23,24)19-17(3)13-16(2)14-18(19)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 429.61 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 6499791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).