(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one

C11H22N2O4S — CID 94666820

IUPAC(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
SMILESCCO[C@H](CC)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-10(17-5-2)11(14)12-6-8-13(9-7-12)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySOFKYZWPOKQCMY-SNVBAGLBSA-N
MW278.37 g/mol
LogP-0.09
Rot. Bonds5

About (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one

(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one (PubChem CID 94666820) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
PubChem CID94666820
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
SMILESCCO[C@H](CC)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-10(17-5-2)11(14)12-6-8-13(9-7-12)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySOFKYZWPOKQCMY-SNVBAGLBSA-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

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Related Compounds

2-ethoxy-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 63074930
(2S)-2-ethoxy-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613591
(2S)-2-ethoxy-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613590
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869
3-chloro-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 62727593
(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 94666535
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525
4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
CID 108888440
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
CID 95347642
1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one (CID 94666820) is (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one is CCO[C@H](CC)C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one?
The InChIKey is SOFKYZWPOKQCMY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-10(17-5-2)11(14)12-6-8-13(9-7-12)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one?
(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one 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 (2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 94666820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).