1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one

C14H20N4O3S — CID 167004061

IUPAC1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one
SMILESCC(C)S(=O)(=O)C1CN(c2ncc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C14H20N4O3S/c1-10(2)22(20,21)12-8-17(9-12)14-15-6-11(7-16-14)18-5-3-4-13(18)19/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyCQIGXCOITXUQPF-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.62
Rot. Bonds4

About 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one

1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one (PubChem CID 167004061) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one
PubChem CID167004061
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one
SMILESCC(C)S(=O)(=O)C1CN(c2ncc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C14H20N4O3S/c1-10(2)22(20,21)12-8-17(9-12)14-15-6-11(7-16-14)18-5-3-4-13(18)19/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyCQIGXCOITXUQPF-UHFFFAOYSA-N
XLogP0.62
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide
CID 58778207
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
1-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945248
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonate
CID 58755397
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one
CID 158885536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one (CID 167004061) is 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one is CC(C)S(=O)(=O)C1CN(c2ncc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one?
The InChIKey is CQIGXCOITXUQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10(2)22(20,21)12-8-17(9-12)14-15-6-11(7-16-14)18-5-3-4-13(18)19/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one?
1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one has a molecular weight of 324.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-ylsulfonylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 167004061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).