N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide

C13H26N2O3S — CID 59540156

IUPACN-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide
SMILESCC(C)C(NS(C)(=O)=O)C(=O)N1CCCC1C(C)C
InChIInChI=1S/C13H26N2O3S/c1-9(2)11-7-6-8-15(11)13(16)12(10(3)4)14-19(5,17)18/h9-12,14H,6-8H2,1-5H3
InChIKeyHMUQMWIXVWTYBA-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.21
Rot. Bonds5

About N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide

N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide (PubChem CID 59540156) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide
PubChem CID59540156
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide
SMILESCC(C)C(NS(C)(=O)=O)C(=O)N1CCCC1C(C)C
InChIInChI=1S/C13H26N2O3S/c1-9(2)11-7-6-8-15(11)13(16)12(10(3)4)14-19(5,17)18/h9-12,14H,6-8H2,1-5H3
InChIKeyHMUQMWIXVWTYBA-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide (CID 59540156) is N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide is CC(C)C(NS(C)(=O)=O)C(=O)N1CCCC1C(C)C.
What is the InChIKey of N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide?
The InChIKey is HMUQMWIXVWTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-9(2)11-7-6-8-15(11)13(16)12(10(3)4)14-19(5,17)18/h9-12,14H,6-8H2,1-5H3.
What are the key properties of N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide?
N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]methanesulfonamide is sourced from PubChem (CID 59540156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).