2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone

C11H20N2O5S2 — CID 138024462

IUPAC2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C11H20N2O5S2/c1-2-20(17,18)13-7-5-12(6-8-13)11(14)9-19(15,16)10-3-4-10/h10H,2-9H2,1H3
InChIKeyHTYMJTTXZNBIOF-UHFFFAOYSA-N
MW324.42 g/mol
LogP-0.94
Rot. Bonds5

About 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone

2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone (PubChem CID 138024462) has the molecular formula C11H20N2O5S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone
PubChem CID138024462
Molecular FormulaC11H20N2O5S2
Molecular Weight324.42 g/mol
Exact Mass324.08
IUPAC Name2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C11H20N2O5S2/c1-2-20(17,18)13-7-5-12(6-8-13)11(14)9-19(15,16)10-3-4-10/h10H,2-9H2,1H3
InChIKeyHTYMJTTXZNBIOF-UHFFFAOYSA-N
XLogP-0.94
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
CID 128553058
1-[2-(oxan-4-ylsulfonyl)acetyl]piperidin-4-one
CID 64636788
1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119414901
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622254
2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 55567324
2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95306760
2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430392
(3S,4S)-1-(2-cyclopentylsulfonylacetyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952453

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone (CID 138024462) is 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone is CCS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is HTYMJTTXZNBIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S2/c1-2-20(17,18)13-7-5-12(6-8-13)11(14)9-19(15,16)10-3-4-10/h10H,2-9H2,1H3.
What are the key properties of 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone?
2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of -0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-1-(4-ethylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 138024462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).