1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

C9H16N2O4S — CID 110387754

IUPAC1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCC(=O)N1S(C)(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-6(2)10-9(13)7-4-5-8(12)11(7)16(3,14)15/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyWHGLOXMAZLDEQA-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.54
Rot. Bonds3

About 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 110387754) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID110387754
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCC(=O)N1S(C)(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-6(2)10-9(13)7-4-5-8(12)11(7)16(3,14)15/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyWHGLOXMAZLDEQA-UHFFFAOYSA-N
XLogP-0.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387766
N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387889
(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 99727906
3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 11349564
1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110387791
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110387691
5-oxo-1-sulfopyrrolidine-2-carboxylic acid
CID 174466730

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (CID 110387754) is 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCC(=O)N1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is WHGLOXMAZLDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-6(2)10-9(13)7-4-5-8(12)11(7)16(3,14)15/h6-7H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 248.30 g/mol, XLogP of -0.54, 3 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-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110387754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).