(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine

C20H26N2O6S2 — CID 1294264

IUPAC(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(OC)cc3)C[C@H]2C)cc1
InChIInChI=1S/C20H26N2O6S2/c1-15-13-22(30(25,26)20-11-7-18(28-4)8-12-20)16(2)14-21(15)29(23,24)19-9-5-17(27-3)6-10-19/h5-12,15-16H,13-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyICVZOZMXXRIUAE-HZPDHXFCSA-N
MW454.57 g/mol
LogP2.18
Rot. Bonds6

About (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine

(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine (PubChem CID 1294264) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
PubChem CID1294264
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(OC)cc3)C[C@H]2C)cc1
InChIInChI=1S/C20H26N2O6S2/c1-15-13-22(30(25,26)20-11-7-18(28-4)8-12-20)16(2)14-21(15)29(23,24)19-9-5-17(27-3)6-10-19/h5-12,15-16H,13-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyICVZOZMXXRIUAE-HZPDHXFCSA-N
XLogP2.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine 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

(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
[(2S,5R)-4-(4-methoxyphenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 146441655
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
CID 7450039
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
(4S)-5-(4-methoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 38259146
(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7450033
methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
CID 10782506
1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine
CID 82252088

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine?
The IUPAC name of (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine (CID 1294264) is (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine is COc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(OC)cc3)C[C@H]2C)cc1.
What is the InChIKey of (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine?
The InChIKey is ICVZOZMXXRIUAE-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-15-13-22(30(25,26)20-11-7-18(28-4)8-12-20)16(2)14-21(15)29(23,24)19-9-5-17(27-3)6-10-19/h5-12,15-16H,13-14H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine?
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine has a molecular weight of 454.57 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 1294264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).