1-tert-butyl-4-(methylsulfonylmethyl)piperazine

C10H22N2O2S — CID 129088260

IUPAC1-tert-butyl-4-(methylsulfonylmethyl)piperazine
SMILESCC(C)(C)N1CCN(CS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)12-7-5-11(6-8-12)9-15(4,13)14/h5-9H2,1-4H3
InChIKeyKSZVRFKLBRGPTB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.40
Rot. Bonds2

About 1-tert-butyl-4-(methylsulfonylmethyl)piperazine

1-tert-butyl-4-(methylsulfonylmethyl)piperazine (PubChem CID 129088260) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-tert-butyl-4-(methylsulfonylmethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(methylsulfonylmethyl)piperazine
PubChem CID129088260
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-tert-butyl-4-(methylsulfonylmethyl)piperazine
SMILESCC(C)(C)N1CCN(CS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)12-7-5-11(6-8-12)9-15(4,13)14/h5-9H2,1-4H3
InChIKeyKSZVRFKLBRGPTB-UHFFFAOYSA-N
XLogP0.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(methylsulfonylmethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(methylsulfonylmethyl)piperazine (CID 129088260) is 1-tert-butyl-4-(methylsulfonylmethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(methylsulfonylmethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(methylsulfonylmethyl)piperazine is CC(C)(C)N1CCN(CS(C)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-(methylsulfonylmethyl)piperazine?
The InChIKey is KSZVRFKLBRGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)12-7-5-11(6-8-12)9-15(4,13)14/h5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(methylsulfonylmethyl)piperazine?
1-tert-butyl-4-(methylsulfonylmethyl)piperazine has a molecular weight of 234.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(methylsulfonylmethyl)piperazine is sourced from PubChem (CID 129088260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).