[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H22N4O3S — CID 168680793

IUPAC[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCN(CC)c1ccc(N2CC(CS(N)(=O)=O)CC2=O)cn1
InChIInChI=1S/C14H22N4O3S/c1-3-17(4-2)13-6-5-12(8-16-13)18-9-11(7-14(18)19)10-22(15,20)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,15,20,21)
InChIKeySKIPBFXCGHZLKH-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.57
Rot. Bonds6

About [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680793) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680793
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCN(CC)c1ccc(N2CC(CS(N)(=O)=O)CC2=O)cn1
InChIInChI=1S/C14H22N4O3S/c1-3-17(4-2)13-6-5-12(8-16-13)18-9-11(7-14(18)19)10-22(15,20)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,15,20,21)
InChIKeySKIPBFXCGHZLKH-UHFFFAOYSA-N
XLogP0.57
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687443
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682606
[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681216
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680272

Frequently Asked Questions

What is the IUPAC name of [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680793) is [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CCN(CC)c1ccc(N2CC(CS(N)(=O)=O)CC2=O)cn1.
What is the InChIKey of [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SKIPBFXCGHZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-17(4-2)13-6-5-12(8-16-13)18-9-11(7-14(18)19)10-22(15,20)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,15,20,21).
What are the key properties of [1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.57, 6 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-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).