N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide

C11H20N2O3S — CID 126823448

IUPACN-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide
SMILESCCC1(CNS(=O)(=O)C2CC(=O)N(C)C2)CC1
InChIInChI=1S/C11H20N2O3S/c1-3-11(4-5-11)8-12-17(15,16)9-6-10(14)13(2)7-9/h9,12H,3-8H2,1-2H3
InChIKeyZNUGRRPMJADJAG-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.33
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide

N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide (PubChem CID 126823448) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide
PubChem CID126823448
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide
SMILESCCC1(CNS(=O)(=O)C2CC(=O)N(C)C2)CC1
InChIInChI=1S/C11H20N2O3S/c1-3-11(4-5-11)8-12-17(15,16)9-6-10(14)13(2)7-9/h9,12H,3-8H2,1-2H3
InChIKeyZNUGRRPMJADJAG-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide (CID 126823448) is N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide is CCC1(CNS(=O)(=O)C2CC(=O)N(C)C2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ZNUGRRPMJADJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-11(4-5-11)8-12-17(15,16)9-6-10(14)13(2)7-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide?
N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 126823448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).