1-butan-2-yl-4-ethylsulfonylpiperazine

C10H22N2O2S — CID 2901815

IUPAC1-butan-2-yl-4-ethylsulfonylpiperazine
SMILESCCC(C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-10(3)11-6-8-12(9-7-11)15(13,14)5-2/h10H,4-9H2,1-3H3
InChIKeyIRXPZONFCINFHU-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds4

About 1-butan-2-yl-4-ethylsulfonylpiperazine

1-butan-2-yl-4-ethylsulfonylpiperazine (PubChem CID 2901815) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-butan-2-yl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-ethylsulfonylpiperazine
PubChem CID2901815
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-butan-2-yl-4-ethylsulfonylpiperazine
SMILESCCC(C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-10(3)11-6-8-12(9-7-11)15(13,14)5-2/h10H,4-9H2,1-3H3
InChIKeyIRXPZONFCINFHU-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
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-ethylsulfonylpiperazine?
The IUPAC name of 1-butan-2-yl-4-ethylsulfonylpiperazine (CID 2901815) is 1-butan-2-yl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-butan-2-yl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-butan-2-yl-4-ethylsulfonylpiperazine is CCC(C)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-butan-2-yl-4-ethylsulfonylpiperazine?
The InChIKey is IRXPZONFCINFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-10(3)11-6-8-12(9-7-11)15(13,14)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-ethylsulfonylpiperazine?
1-butan-2-yl-4-ethylsulfonylpiperazine has a molecular weight of 234.36 g/mol, XLogP of 0.75, 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-ethylsulfonylpiperazine is sourced from PubChem (CID 2901815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).