2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone

C10H20N2O4S — CID 61357199

IUPAC2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)17(14,15)12-6-4-11(5-7-12)10(13)8-16-3/h9H,4-8H2,1-3H3
InChIKeyCLQDPOMKMIJYFL-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.48
Rot. Bonds4

About 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone

2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 61357199) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID61357199
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)17(14,15)12-6-4-11(5-7-12)10(13)8-16-3/h9H,4-8H2,1-3H3
InChIKeyCLQDPOMKMIJYFL-UHFFFAOYSA-N
XLogP-0.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.48
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-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone (CID 61357199) is 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone is COCC(=O)N1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is CLQDPOMKMIJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(2)17(14,15)12-6-4-11(5-7-12)10(13)8-16-3/h9H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 264.35 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61357199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).