N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

C11H19N3O4S — CID 110750058

IUPACN-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)14-6-2-3-8(14)7-12-11(16)9-4-5-10(15)13-9/h8-9H,2-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyZIECIOGMDMFDNG-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.19
Rot. Bonds4

About N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110750058) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110750058
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)14-6-2-3-8(14)7-12-11(16)9-4-5-10(15)13-9/h8-9H,2-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyZIECIOGMDMFDNG-UHFFFAOYSA-N
XLogP-1.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110750058) is N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1CNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZIECIOGMDMFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-19(17,18)14-6-2-3-8(14)7-12-11(16)9-4-5-10(15)13-9/h8-9H,2-7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110750058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).