1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine

C16H26N2O2S — CID 110290792

IUPAC1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C16H26N2O2S/c1-14-7-5-6-8-15(14)21(19,20)18-11-9-17(10-12-18)13-16(2,3)4/h5-8H,9-13H2,1-4H3
InChIKeyNDVHEQCXFPGDJO-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.35
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine

1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 110290792) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID110290792
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C16H26N2O2S/c1-14-7-5-6-8-15(14)21(19,20)18-11-9-17(10-12-18)13-16(2,3)4/h5-8H,9-13H2,1-4H3
InChIKeyNDVHEQCXFPGDJO-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 113073220
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylbutan-1-one
CID 110398574
1-(2-methylphenyl)sulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 45366345
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline
CID 61114608
4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 46287345

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine (CID 110290792) is 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine is Cc1ccccc1S(=O)(=O)N1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is NDVHEQCXFPGDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-14-7-5-6-8-15(14)21(19,20)18-11-9-17(10-12-18)13-16(2,3)4/h5-8H,9-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine?
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 310.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110290792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).