[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H18N2O3S — CID 168682896

IUPAC[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccccc2C2CC2)C1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)9-10-7-14(17)16(8-10)13-4-2-1-3-12(13)11-5-6-11/h1-4,10-11H,5-9H2,(H2,15,18,19)
InChIKeyLQYHTHGXYZGHBS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.21
Rot. Bonds4

About [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682896) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682896
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccccc2C2CC2)C1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)9-10-7-14(17)16(8-10)13-4-2-1-3-12(13)11-5-6-11/h1-4,10-11H,5-9H2,(H2,15,18,19)
InChIKeyLQYHTHGXYZGHBS-UHFFFAOYSA-N
XLogP1.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146
(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683221
[5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683193
[1-(2-bromo-4-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682704
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680441
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682896) is [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccccc2C2CC2)C1.
What is the InChIKey of [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LQYHTHGXYZGHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-20(18,19)9-10-7-14(17)16(8-10)13-4-2-1-3-12(13)11-5-6-11/h1-4,10-11H,5-9H2,(H2,15,18,19).
What are the key properties of [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).