3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide

C9H21N3O3S — CID 114816244

IUPAC3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC(C(C)N)C1
InChIInChI=1S/C9H21N3O3S/c1-8(10)9-3-5-12(7-9)16(13,14)11-4-6-15-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFNCZVBJCTWDOKJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.86
Rot. Bonds6

About 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide

3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 114816244) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
PubChem CID114816244
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC(C(C)N)C1
InChIInChI=1S/C9H21N3O3S/c1-8(10)9-3-5-12(7-9)16(13,14)11-4-6-15-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFNCZVBJCTWDOKJ-UHFFFAOYSA-N
XLogP-0.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55002626
2-methoxy-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63877900
N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 65783804
4-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 65785118
4-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpiperidine-1-sulfonamide
CID 65786878
4-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-sulfonamide
CID 65787294
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpiperidine-1-sulfonamide
CID 65790694
1-methoxy-N-(2-methoxyethyl)-N-(2-pyrrolidin-3-ylethyl)propan-2-amine
CID 65957015
3-[[2-Methoxyethyl(methyl)sulfamoyl]amino]-4-methyl-1-propan-2-ylpyrrolidine
CID 71871887
3-[[2-Methoxyethyl(methyl)sulfamoyl]amino]-1,4-dimethylpyrrolidine
CID 71871900
N-ethyl-N'-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-N-methylsulfamide hydrochloride
CID 72882692
2-methoxy-N-(2-methoxyethyl)-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
CID 79383837

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide (CID 114816244) is 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide is COCCNS(=O)(=O)N1CCC(C(C)N)C1.
What is the InChIKey of 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is FNCZVBJCTWDOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-8(10)9-3-5-12(7-9)16(13,14)11-4-6-15-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114816244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).