1-(4-butylsulfonylpiperazin-1-yl)propan-1-one

C11H22N2O3S — CID 110817146

IUPAC1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCCS(=O)(=O)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C11H22N2O3S/c1-3-5-10-17(15,16)13-8-6-12(7-9-13)11(14)4-2/h3-10H2,1-2H3
InChIKeyHQSBSKNBYJMKNJ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.67
Rot. Bonds5

About 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one

1-(4-butylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 110817146) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID110817146
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCCS(=O)(=O)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C11H22N2O3S/c1-3-5-10-17(15,16)13-8-6-12(7-9-13)11(14)4-2/h3-10H2,1-2H3
InChIKeyHQSBSKNBYJMKNJ-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-methylbutan-1-one
CID 110797381
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
1-(4-butylsulfonylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110805029
1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone
CID 110365678
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
CID 75400468
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
1-(4-butylsulfonylpiperazin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 108568996
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
CID 110366193
1-tert-butyl-4-butylsulfonylpiperazine
CID 113074851
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one (CID 110817146) is 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one is CCCCS(=O)(=O)N1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is HQSBSKNBYJMKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-5-10-17(15,16)13-8-6-12(7-9-13)11(14)4-2/h3-10H2,1-2H3.
What are the key properties of 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one?
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 262.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110817146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).