[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C13H15N5O3S — CID 168683303

IUPAC[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNc1nc(N2CC(CS(N)(=O)=O)CC2=O)nc2ccccc12
InChIInChI=1S/C13H15N5O3S/c14-12-9-3-1-2-4-10(9)16-13(17-12)18-6-8(5-11(18)19)7-22(15,20)21/h1-4,8H,5-7H2,(H2,14,16,17)(H2,15,20,21)
InChIKeyIPKNJXCAOFMNJJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP-0.15
Rot. Bonds3

About [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683303) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683303
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNc1nc(N2CC(CS(N)(=O)=O)CC2=O)nc2ccccc12
InChIInChI=1S/C13H15N5O3S/c14-12-9-3-1-2-4-10(9)16-13(17-12)18-6-8(5-11(18)19)7-22(15,20)21/h1-4,8H,5-7H2,(H2,14,16,17)(H2,15,20,21)
InChIKeyIPKNJXCAOFMNJJ-UHFFFAOYSA-N
XLogP-0.15
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683221
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683290
[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683266
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677864

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683303) is [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Nc1nc(N2CC(CS(N)(=O)=O)CC2=O)nc2ccccc12.
What is the InChIKey of [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IPKNJXCAOFMNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c14-12-9-3-1-2-4-10(9)16-13(17-12)18-6-8(5-11(18)19)7-22(15,20)21/h1-4,8H,5-7H2,(H2,14,16,17)(H2,15,20,21).
What are the key properties of [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 321.36 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).