1-tert-butyl-4-butylsulfonylpiperazine

C12H26N2O2S — CID 113074851

IUPAC1-tert-butyl-4-butylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-5-6-11-17(15,16)14-9-7-13(8-10-14)12(2,3)4/h5-11H2,1-4H3
InChIKeyODQXOJKTEFCUCI-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.53
Rot. Bonds4

About 1-tert-butyl-4-butylsulfonylpiperazine

1-tert-butyl-4-butylsulfonylpiperazine (PubChem CID 113074851) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-tert-butyl-4-butylsulfonylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-butylsulfonylpiperazine
PubChem CID113074851
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-tert-butyl-4-butylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-5-6-11-17(15,16)14-9-7-13(8-10-14)12(2,3)4/h5-11H2,1-4H3
InChIKeyODQXOJKTEFCUCI-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
CID 75400468
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
3-(4-tert-butylpiperazin-1-yl)sulfonylpropanoic acid
CID 61432663
1-tert-butyl-4-(fluoromethylsulfonyl)piperazine
CID 153495835
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404
1-butylsulfonylpiperazine
CID 16769079
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
4-tert-butylpiperazine-1-sulfonyl chloride
CID 114958282
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-butylsulfonylpiperazine?
The IUPAC name of 1-tert-butyl-4-butylsulfonylpiperazine (CID 113074851) is 1-tert-butyl-4-butylsulfonylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-butylsulfonylpiperazine?
The canonical SMILES for 1-tert-butyl-4-butylsulfonylpiperazine is CCCCS(=O)(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-butylsulfonylpiperazine?
The InChIKey is ODQXOJKTEFCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-6-11-17(15,16)14-9-7-13(8-10-14)12(2,3)4/h5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-butylsulfonylpiperazine?
1-tert-butyl-4-butylsulfonylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-butylsulfonylpiperazine is sourced from PubChem (CID 113074851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).