1-butan-2-yl-4-cyclobutylsulfonylpiperazine

C12H24N2O2S — CID 130440353

IUPAC1-butan-2-yl-4-cyclobutylsulfonylpiperazine
SMILESCCC(C)N1CCN(S(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-11(2)13-7-9-14(10-8-13)17(15,16)12-5-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyFUYXZKAXCVPWOJ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.28
Rot. Bonds4

About 1-butan-2-yl-4-cyclobutylsulfonylpiperazine

1-butan-2-yl-4-cyclobutylsulfonylpiperazine (PubChem CID 130440353) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-butan-2-yl-4-cyclobutylsulfonylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-cyclobutylsulfonylpiperazine
PubChem CID130440353
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-butan-2-yl-4-cyclobutylsulfonylpiperazine
SMILESCCC(C)N1CCN(S(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-11(2)13-7-9-14(10-8-13)17(15,16)12-5-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyFUYXZKAXCVPWOJ-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-cyclobutylsulfonylpiperazine?
The IUPAC name of 1-butan-2-yl-4-cyclobutylsulfonylpiperazine (CID 130440353) is 1-butan-2-yl-4-cyclobutylsulfonylpiperazine.
What is the SMILES notation for 1-butan-2-yl-4-cyclobutylsulfonylpiperazine?
The canonical SMILES for 1-butan-2-yl-4-cyclobutylsulfonylpiperazine is CCC(C)N1CCN(S(=O)(=O)C2CCC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-cyclobutylsulfonylpiperazine?
The InChIKey is FUYXZKAXCVPWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-11(2)13-7-9-14(10-8-13)17(15,16)12-5-4-6-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-cyclobutylsulfonylpiperazine?
1-butan-2-yl-4-cyclobutylsulfonylpiperazine has a molecular weight of 260.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-cyclobutylsulfonylpiperazine is sourced from PubChem (CID 130440353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).