N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide

C9H16N2O5S — CID 110387766

IUPACN-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCC(=O)N1S(C)(=O)=O
InChIInChI=1S/C9H16N2O5S/c1-16-6-5-10-9(13)7-3-4-8(12)11(7)17(2,14)15/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyJAOFGCMHSSXJEN-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.30
Rot. Bonds5

About N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387766) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110387766
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC NameN-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCC(=O)N1S(C)(=O)=O
InChIInChI=1S/C9H16N2O5S/c1-16-6-5-10-9(13)7-3-4-8(12)11(7)17(2,14)15/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyJAOFGCMHSSXJEN-UHFFFAOYSA-N
XLogP-1.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
1-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 10585545
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 110387754
1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110387791
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
N-(2-methoxyethyl)-2-oxocyclopentane-1-carboxamide
CID 135145187
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387889
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
1-(3,4-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 53029577

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide (CID 110387766) is N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide is COCCNC(=O)C1CCC(=O)N1S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JAOFGCMHSSXJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-16-6-5-10-9(13)7-3-4-8(12)11(7)17(2,14)15/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 264.30 g/mol, XLogP of -1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).