1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide

C9H19N3O3S — CID 168716523

IUPAC1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCC(CCN)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C9H19N3O3S/c1-2-7(3-4-10)12-6-8(5-9(12)13)16(11,14)15/h7-8H,2-6,10H2,1H3,(H2,11,14,15)
InChIKeyQHOYWGBPSWVJFG-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.00
Rot. Bonds5

About 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide

1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716523) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716523
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCC(CCN)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C9H19N3O3S/c1-2-7(3-4-10)12-6-8(5-9(12)13)16(11,14)15/h7-8H,2-6,10H2,1H3,(H2,11,14,15)
InChIKeyQHOYWGBPSWVJFG-UHFFFAOYSA-N
XLogP-1.00
TPSA106.49 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 ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
1-(1-cyanobutan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713193
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716634
1-pentan-3-yl-4-sulfanylpyrrolidin-2-one
CID 168708150
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168716523) is 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide is CCC(CCN)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is QHOYWGBPSWVJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-7(3-4-10)12-6-8(5-9(12)13)16(11,14)15/h7-8H,2-6,10H2,1H3,(H2,11,14,15).
What are the key properties of 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).