2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C8H16N2O4S — CID 35282502

IUPAC2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O4S/c1-14-7-8(11)9-3-5-10(6-4-9)15(2,12)13/h3-7H2,1-2H3
InChIKeyKHUOLQFQHIHFRZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.26
Rot. Bonds3

About 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 35282502) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID35282502
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O4S/c1-14-7-8(11)9-3-5-10(6-4-9)15(2,12)13/h3-7H2,1-2H3
InChIKeyKHUOLQFQHIHFRZ-UHFFFAOYSA-N
XLogP-1.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 35282502) is 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone is COCC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is KHUOLQFQHIHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-7-8(11)9-3-5-10(6-4-9)15(2,12)13/h3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 236.29 g/mol, XLogP of -1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 35282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).