1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine

C12H26N2O2S — CID 103815489

IUPAC1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-10-8-13-9-11(2)14(10)6-7-17(15,16)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyNRLIPJQJYRYEHO-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine

1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine (PubChem CID 103815489) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
PubChem CID103815489
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-10-8-13-9-11(2)14(10)6-7-17(15,16)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyNRLIPJQJYRYEHO-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
CID 103815390
2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 63911805
4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
CID 106725692
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
CID 103815500
1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol
CID 106729248
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
CID 130616499
3-tert-butyl-1-(2-tert-butylsulfonylethyl)-7-methyl-1,4-diazepane
CID 106733409
1-(2-tert-butylsulfonylethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 106733752
2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116616936

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine (CID 103815489) is 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine is CC1CNCC(C)N1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine?
The InChIKey is NRLIPJQJYRYEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10-8-13-9-11(2)14(10)6-7-17(15,16)12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine?
1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 103815489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).