1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone

C11H22N2O4S — CID 46199859

IUPAC1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-18(15,16)13-7-5-12(6-8-13)11(14)9-17-10(2)3/h10H,4-9H2,1-3H3
InChIKeyMFOHNLWQUDBLTF-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.09
Rot. Bonds5

About 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone

1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 46199859) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
PubChem CID46199859
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-18(15,16)13-7-5-12(6-8-13)11(14)9-17-10(2)3/h10H,4-9H2,1-3H3
InChIKeyMFOHNLWQUDBLTF-UHFFFAOYSA-N
XLogP-0.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone with MolForge

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Related Compounds

2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
1-[4-(2-chloroethyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 112603944
1-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-methoxyethanone
CID 83083828
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(bromomethylsulfonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 83084266
2-propan-2-yloxy-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 112691124
4-amino-3-methoxy-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120594194
(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119343269
3-[4-(2-methoxyacetyl)piperazin-1-yl]sulfonylpropanoic acid
CID 60950227
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone
CID 138024462

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone (CID 46199859) is 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone is CCS(=O)(=O)N1CCN(C(=O)COC(C)C)CC1.
What is the InChIKey of 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is MFOHNLWQUDBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-18(15,16)13-7-5-12(6-8-13)11(14)9-17-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone?
1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 278.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 46199859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).