[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H20N2O4S — CID 168680855

IUPAC[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCOCCCN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H20N2O4S/c1-2-16-5-3-4-12-7-9(6-10(12)13)8-17(11,14)15/h9H,2-8H2,1H3,(H2,11,14,15)
InChIKeyWMIOLMORFMTTFU-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.45
Rot. Bonds7

About [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680855) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680855
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCOCCCN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H20N2O4S/c1-2-16-5-3-4-12-7-9(6-10(12)13)8-17(11,14)15/h9H,2-8H2,1H3,(H2,11,14,15)
InChIKeyWMIOLMORFMTTFU-UHFFFAOYSA-N
XLogP-0.45
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide 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

[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920
(2S)-2-acetamido-6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]hexanoic acid
CID 168680225
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681596
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680855) is [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CCOCCCN1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WMIOLMORFMTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-2-16-5-3-4-12-7-9(6-10(12)13)8-17(11,14)15/h9H,2-8H2,1H3,(H2,11,14,15).
What are the key properties of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).