1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine

C13H26N2O2S — CID 58209113

IUPAC1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine
SMILESCC(C)(C)C1CC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)11-9-12(10-11)14-5-7-15(8-6-14)18(4,16)17/h11-12H,5-10H2,1-4H3
InChIKeyDVWOTJXXYMOQDI-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.39
Rot. Bonds2

About 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine

1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine (PubChem CID 58209113) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine
PubChem CID58209113
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine
SMILESCC(C)(C)C1CC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)11-9-12(10-11)14-5-7-15(8-6-14)18(4,16)17/h11-12H,5-10H2,1-4H3
InChIKeyDVWOTJXXYMOQDI-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine (CID 58209113) is 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine is CC(C)(C)C1CC(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine?
The InChIKey is DVWOTJXXYMOQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2,3)11-9-12(10-11)14-5-7-15(8-6-14)18(4,16)17/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine?
1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine has a molecular weight of 274.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 58209113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).