N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide

C9H21N3O3S — CID 83039015

IUPACN-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide
SMILESCOCCNCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c1-15-9-6-10-4-5-11-16(13,14)12-7-2-3-8-12/h10-11H,2-9H2,1H3
InChIKeyOCIWOYNXVIAGIM-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.85
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide

N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 83039015) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide
PubChem CID83039015
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide
SMILESCOCCNCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c1-15-9-6-10-4-5-11-16(13,14)12-7-2-3-8-12/h10-11H,2-9H2,1H3
InChIKeyOCIWOYNXVIAGIM-UHFFFAOYSA-N
XLogP-0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide 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-[[2-Methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 106609905
(2S,4S)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 132399150
N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
CID 60683104
N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine
CID 60698188
N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 60724649
ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
CID 163276578
2-(4-Methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173224039
(4S)-3-(dipropylsulfamoylamino)-4-methoxypyrrolidine
CID 43597165
(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597188
(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597190
(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
CID 43597218
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]-1-(2-methoxyethyl)pyrrolidine
CID 53560747

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide (CID 83039015) is N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide is COCCNCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is OCIWOYNXVIAGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-15-9-6-10-4-5-11-16(13,14)12-7-2-3-8-12/h10-11H,2-9H2,1H3.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide?
N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 83039015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).