1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide

C9H16N2O4S — CID 110387753

IUPAC1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCC(=O)N1S(C)(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-3-6-10-9(13)7-4-5-8(12)11(7)16(2,14)15/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyNVGIHRHIRQSZMY-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.54
Rot. Bonds4

About 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide

1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide (PubChem CID 110387753) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
PubChem CID110387753
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCC(=O)N1S(C)(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-3-6-10-9(13)7-4-5-8(12)11(7)16(2,14)15/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyNVGIHRHIRQSZMY-UHFFFAOYSA-N
XLogP-0.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387766
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-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387889
5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)-N-propylpyrrolidine-2-carboxamide
CID 3842918
N-[3-(dimethylamino)propyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687240
1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110387691
1-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 10585545
[(2S,5S)-7-oxo-2-(propylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 174031772
(3R,7aS)-7a-methyl-5-oxo-N-propyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 94330442
1-formyl-N-propylazetidine-2-carboxamide
CID 87282789

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide (CID 110387753) is 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CCC(=O)N1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide?
The InChIKey is NVGIHRHIRQSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-3-6-10-9(13)7-4-5-8(12)11(7)16(2,14)15/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide?
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide has a molecular weight of 248.30 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).