N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C14H20N2O3S — CID 848131

IUPACN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)16(11-13-7-3-2-4-8-13)12-14(17)15-9-5-6-10-15/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyUDTFBQDVIWPZMP-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.07
Rot. Bonds5

About N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 848131) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID848131
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)16(11-13-7-3-2-4-8-13)12-14(17)15-9-5-6-10-15/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyUDTFBQDVIWPZMP-UHFFFAOYSA-N
XLogP1.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 848131) is N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is UDTFBQDVIWPZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)16(11-13-7-3-2-4-8-13)12-14(17)15-9-5-6-10-15/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 848131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).