2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone

C9H18N2O4S — CID 75399750

IUPAC2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C9H18N2O4S/c1-2-7-16(14,15)11-5-3-10(4-6-11)9(13)8-12/h12H,2-8H2,1H3
InChIKeyBDNXIJQCWLQCPV-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.14
Rot. Bonds4

About 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone

2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone (PubChem CID 75399750) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
PubChem CID75399750
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C9H18N2O4S/c1-2-7-16(14,15)11-5-3-10(4-6-11)9(13)8-12/h12H,2-8H2,1H3
InChIKeyBDNXIJQCWLQCPV-UHFFFAOYSA-N
XLogP-1.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone (CID 75399750) is 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone is CCCS(=O)(=O)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is BDNXIJQCWLQCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-7-16(14,15)11-5-3-10(4-6-11)9(13)8-12/h12H,2-8H2,1H3.
What are the key properties of 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 250.32 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 75399750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).