5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide

C7H10N2O3S — CID 168716757

IUPAC5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
SMILESC#CCN1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C7H10N2O3S/c1-2-3-9-5-6(4-7(9)10)13(8,11)12/h1,6H,3-5H2,(H2,8,11,12)
InChIKeyJXFMGFQVKUJMNI-UHFFFAOYSA-N
MW202.23 g/mol
LogP-1.49
Rot. Bonds2

About 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide

5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide (PubChem CID 168716757) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
PubChem CID168716757
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
SMILESC#CCN1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C7H10N2O3S/c1-2-3-9-5-6(4-7(9)10)13(8,11)12/h1,6H,3-5H2,(H2,8,11,12)
InChIKeyJXFMGFQVKUJMNI-UHFFFAOYSA-N
XLogP-1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718145
N,N-dimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetamide
CID 168717165
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717537
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184
5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717057
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide (CID 168716757) is 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide is C#CCN1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide?
The InChIKey is JXFMGFQVKUJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-2-3-9-5-6(4-7(9)10)13(8,11)12/h1,6H,3-5H2,(H2,8,11,12).
What are the key properties of 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide?
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide has a molecular weight of 202.23 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).