4-butylsulfonyl-3-ethylpiperazin-2-one

C10H20N2O3S — CID 63600864

IUPAC4-butylsulfonyl-3-ethylpiperazin-2-one
SMILESCCCCS(=O)(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C10H20N2O3S/c1-3-5-8-16(14,15)12-7-6-11-10(13)9(12)4-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLHUJNGFYZJKZFJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds5

About 4-butylsulfonyl-3-ethylpiperazin-2-one

4-butylsulfonyl-3-ethylpiperazin-2-one (PubChem CID 63600864) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-butylsulfonyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-butylsulfonyl-3-ethylpiperazin-2-one
PubChem CID63600864
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name4-butylsulfonyl-3-ethylpiperazin-2-one
SMILESCCCCS(=O)(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C10H20N2O3S/c1-3-5-8-16(14,15)12-7-6-11-10(13)9(12)4-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLHUJNGFYZJKZFJ-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
CID 64987347
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
N,2-diethyl-3-oxopiperazine-1-sulfonamide
CID 115638456
4-butylsulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657069
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
CID 63600686
3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
CID 63602552
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931
3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one
CID 80691437
N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide
CID 63601240
4-(1,1-dioxothian-4-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601892
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600178
4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one
CID 63606606

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-3-ethylpiperazin-2-one?
The IUPAC name of 4-butylsulfonyl-3-ethylpiperazin-2-one (CID 63600864) is 4-butylsulfonyl-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-butylsulfonyl-3-ethylpiperazin-2-one?
The canonical SMILES for 4-butylsulfonyl-3-ethylpiperazin-2-one is CCCCS(=O)(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 4-butylsulfonyl-3-ethylpiperazin-2-one?
The InChIKey is LHUJNGFYZJKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-5-8-16(14,15)12-7-6-11-10(13)9(12)4-2/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 4-butylsulfonyl-3-ethylpiperazin-2-one?
4-butylsulfonyl-3-ethylpiperazin-2-one has a molecular weight of 248.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).