N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide

C14H19N5O5S — CID 58778202

IUPACN-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESCN(C1CCN(c2ncc(N3CCOCC3=O)cn2)C1=O)S(C)(=O)=O
InChIInChI=1S/C14H19N5O5S/c1-17(25(2,22)23)11-3-4-19(13(11)21)14-15-7-10(8-16-14)18-5-6-24-9-12(18)20/h7-8,11H,3-6,9H2,1-2H3
InChIKeyIPRLAFCIRXMNMD-UHFFFAOYSA-N
MW369.40 g/mol
LogP-1.16
Rot. Bonds4

About N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide

N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 58778202) has the molecular formula C14H19N5O5S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID58778202
Molecular FormulaC14H19N5O5S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC NameN-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESCN(C1CCN(c2ncc(N3CCOCC3=O)cn2)C1=O)S(C)(=O)=O
InChIInChI=1S/C14H19N5O5S/c1-17(25(2,22)23)11-3-4-19(13(11)21)14-15-7-10(8-16-14)18-5-6-24-9-12(18)20/h7-8,11H,3-6,9H2,1-2H3
InChIKeyIPRLAFCIRXMNMD-UHFFFAOYSA-N
XLogP-1.16
TPSA113.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide (CID 58778202) is N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide is CN(C1CCN(c2ncc(N3CCOCC3=O)cn2)C1=O)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IPRLAFCIRXMNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O5S/c1-17(25(2,22)23)11-3-4-19(13(11)21)14-15-7-10(8-16-14)18-5-6-24-9-12(18)20/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide?
N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 369.40 g/mol, XLogP of -1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-1-[5-(3-oxomorpholin-4-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 58778202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).