1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide

C13H20N4O3S — CID 168717038

IUPAC1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCCN(CC)c1ccc(N2CC(S(N)(=O)=O)CC2=O)cn1
InChIInChI=1S/C13H20N4O3S/c1-3-16(4-2)12-6-5-10(8-15-12)17-9-11(7-13(17)18)21(14,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,14,19,20)
InChIKeyHVYSUXBBIGGOOC-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.32
Rot. Bonds5

About 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide

1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717038) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717038
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCCN(CC)c1ccc(N2CC(S(N)(=O)=O)CC2=O)cn1
InChIInChI=1S/C13H20N4O3S/c1-3-16(4-2)12-6-5-10(8-15-12)17-9-11(7-13(17)18)21(14,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,14,19,20)
InChIKeyHVYSUXBBIGGOOC-UHFFFAOYSA-N
XLogP0.32
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687443
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713786
1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719322
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide (CID 168717038) is 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide is CCN(CC)c1ccc(N2CC(S(N)(=O)=O)CC2=O)cn1.
What is the InChIKey of 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is HVYSUXBBIGGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-3-16(4-2)12-6-5-10(8-15-12)17-9-11(7-13(17)18)21(14,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,14,19,20).
What are the key properties of 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).