2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine

C23H32N2O4S2 — CID 2899373

IUPAC2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C(C)C2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-17(2)20-6-10-22(11-7-20)30(26,27)24-14-15-25(19(5)16-24)31(28,29)23-12-8-21(9-13-23)18(3)4/h6-13,17-19H,14-16H2,1-5H3
InChIKeyDQIVPQGECINPCD-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.02
Rot. Bonds6

About 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine

2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine (PubChem CID 2899373) has the molecular formula C23H32N2O4S2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine.

Molecular Properties

Compound Name2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
PubChem CID2899373
Molecular FormulaC23H32N2O4S2
Molecular Weight464.65 g/mol
Exact Mass464.18
IUPAC Name2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C(C)C2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-17(2)20-6-10-22(11-7-20)30(26,27)24-14-15-25(19(5)16-24)31(28,29)23-12-8-21(9-13-23)18(3)4/h6-13,17-19H,14-16H2,1-5H3
InChIKeyDQIVPQGECINPCD-UHFFFAOYSA-N
XLogP4.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine 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

(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 15992527
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine?
The IUPAC name of 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine (CID 2899373) is 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine.
What is the SMILES notation for 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine?
The canonical SMILES for 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C(C)C2)cc1.
What is the InChIKey of 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine?
The InChIKey is DQIVPQGECINPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S2/c1-17(2)20-6-10-22(11-7-20)30(26,27)24-14-15-25(19(5)16-24)31(28,29)23-12-8-21(9-13-23)18(3)4/h6-13,17-19H,14-16H2,1-5H3.
What are the key properties of 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine?
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine has a molecular weight of 464.65 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine is sourced from PubChem (CID 2899373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).