4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one

C9H19N3O3S — CID 63606606

IUPAC4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one
SMILESCCNCCS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C9H19N3O3S/c1-3-10-5-7-16(14,15)12-6-4-11-9(13)8(12)2/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyMWWFODZFHVRAQF-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.25
Rot. Bonds5

About 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one

4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one (PubChem CID 63606606) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one
PubChem CID63606606
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one
SMILESCCNCCS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C9H19N3O3S/c1-3-10-5-7-16(14,15)12-6-4-11-9(13)8(12)2/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyMWWFODZFHVRAQF-UHFFFAOYSA-N
XLogP-1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one 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

3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one
CID 63605941
3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
CID 63662895
N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
CID 115638450
2-(2-methyl-3-oxopiperazin-1-yl)sulfonylacetonitrile
CID 63606088
4-butylsulfonyl-3-ethylpiperazin-2-one
CID 63600864
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
N,2-diethyl-3-oxopiperazine-1-sulfonamide
CID 115638456
4-[[3-(aminomethyl)phenyl]methylsulfonyl]-3-methylpiperazin-2-one
CID 63607027
3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one
CID 55218367
4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
CID 64987347
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
CID 63606437
4-(4-amino-2,6-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79589199

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one (CID 63606606) is 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one is CCNCCS(=O)(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one?
The InChIKey is MWWFODZFHVRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-3-10-5-7-16(14,15)12-6-4-11-9(13)8(12)2/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one?
4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one has a molecular weight of 249.34 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63606606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).