3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide

C8H19N3O3S — CID 103576440

IUPAC3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C8H19N3O3S/c1-7-5-11(6-8(7)9)15(12,13)10-3-4-14-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyJBQAMLDQRFJFQF-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.25
Rot. Bonds5

About 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide

3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide (PubChem CID 103576440) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
PubChem CID103576440
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C8H19N3O3S/c1-7-5-11(6-8(7)9)15(12,13)10-3-4-14-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyJBQAMLDQRFJFQF-UHFFFAOYSA-N
XLogP-1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
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'}

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Related Compounds

N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide
CID 104978832
5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 114816110
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
2-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815510

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide (CID 103576440) is 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide is COCCNS(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide?
The InChIKey is JBQAMLDQRFJFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7-5-11(6-8(7)9)15(12,13)10-3-4-14-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide?
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide has a molecular weight of 237.32 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 3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103576440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).