N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide

C11H22N2O3S — CID 131933501

IUPACN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC1CC(=O)N(CC)C1
InChIInChI=1S/C11H22N2O3S/c1-4-6-17(15,16)12(3)8-10-7-11(14)13(5-2)9-10/h10H,4-9H2,1-3H3
InChIKeyWUGBZFMRJSPXOU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.53
Rot. Bonds6

About N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide

N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 131933501) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID131933501
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC1CC(=O)N(CC)C1
InChIInChI=1S/C11H22N2O3S/c1-4-6-17(15,16)12(3)8-10-7-11(14)13(5-2)9-10/h10H,4-9H2,1-3H3
InChIKeyWUGBZFMRJSPXOU-UHFFFAOYSA-N
XLogP0.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide (CID 131933501) is N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CC1CC(=O)N(CC)C1.
What is the InChIKey of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is WUGBZFMRJSPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-6-17(15,16)12(3)8-10-7-11(14)13(5-2)9-10/h10H,4-9H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide?
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 131933501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).