1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one

C11H22N2O4S — CID 75437352

IUPAC1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one
SMILESCCCCS(=O)(=O)N1CCN(C(=O)C(C)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-3-4-9-18(16,17)13-7-5-12(6-8-13)11(15)10(2)14/h10,14H,3-9H2,1-2H3
InChIKeyNUJHLPYBKKLJSE-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.36
Rot. Bonds5

About 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one

1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one (PubChem CID 75437352) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one
PubChem CID75437352
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one
SMILESCCCCS(=O)(=O)N1CCN(C(=O)C(C)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-3-4-9-18(16,17)13-7-5-12(6-8-13)11(15)10(2)14/h10,14H,3-9H2,1-2H3
InChIKeyNUJHLPYBKKLJSE-UHFFFAOYSA-N
XLogP-0.36
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one (CID 75437352) is 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one is CCCCS(=O)(=O)N1CCN(C(=O)C(C)O)CC1.
What is the InChIKey of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is NUJHLPYBKKLJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-4-9-18(16,17)13-7-5-12(6-8-13)11(15)10(2)14/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one?
1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 278.37 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 75437352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).