1-tert-butyl-4-methylsulfonylpiperazine

C9H20N2O2S — CID 21132133

IUPAC1-tert-butyl-4-methylsulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)10-5-7-11(8-6-10)14(4,12)13/h5-8H2,1-4H3
InChIKeyFQDAJFFCUYOXOI-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds1

About 1-tert-butyl-4-methylsulfonylpiperazine

1-tert-butyl-4-methylsulfonylpiperazine (PubChem CID 21132133) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-tert-butyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-methylsulfonylpiperazine
PubChem CID21132133
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-tert-butyl-4-methylsulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)10-5-7-11(8-6-10)14(4,12)13/h5-8H2,1-4H3
InChIKeyFQDAJFFCUYOXOI-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-tert-butyl-4-methylsulfonylpiperazine (CID 21132133) is 1-tert-butyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-tert-butyl-4-methylsulfonylpiperazine is CC(C)(C)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-methylsulfonylpiperazine?
The InChIKey is FQDAJFFCUYOXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,3)10-5-7-11(8-6-10)14(4,12)13/h5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylsulfonylpiperazine?
1-tert-butyl-4-methylsulfonylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 21132133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).