1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone

C10H20N2O4S — CID 75443851

IUPAC1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C10H20N2O4S/c1-2-3-8-17(15,16)12-6-4-11(5-7-12)10(14)9-13/h13H,2-9H2,1H3
InChIKeyKRTWESVXQVCXGB-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.75
Rot. Bonds5

About 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone

1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone (PubChem CID 75443851) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone
PubChem CID75443851
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C10H20N2O4S/c1-2-3-8-17(15,16)12-6-4-11(5-7-12)10(14)9-13/h13H,2-9H2,1H3
InChIKeyKRTWESVXQVCXGB-UHFFFAOYSA-N
XLogP-0.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-Hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
CID 75443852
1-[4-(3-Fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone
CID 75443853
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]ethanesulfonic acid
CID 21111043
1-(4-Ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 46199856
1-(4-Ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
[2-(4-Methylpiperazin-1-yl)-2-oxoethyl] methanesulfonate
CID 58168392
1-[2-[2-(Dimethylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazepan-5-yl]-2-hydroxyethanone
CID 58679187
1-[2-(4-Ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one
CID 71119723
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethanesulfonic acid
CID 88371387
[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pentane-1-sulfonate
CID 88712670
N-[2-[ethyl(methyl)amino]ethyl]-N-(2-morpholin-4-ylsulfonylethyl)acetamide
CID 89778318

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone (CID 75443851) is 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone is CCCCS(=O)(=O)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
The InChIKey is KRTWESVXQVCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-2-3-8-17(15,16)12-6-4-11(5-7-12)10(14)9-13/h13H,2-9H2,1H3.
What are the key properties of 1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
1-(4-butylsulfonylpiperazin-1-yl)-2-hydroxyethanone has a molecular weight of 264.35 g/mol, XLogP of -0.75, 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-hydroxyethanone is sourced from PubChem (CID 75443851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).