N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide

C10H16N2O4S — CID 63859347

IUPACN-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide
SMILESCC1=CC(=O)N(CC(C)(C)NS(C)(=O)=O)C1=O
InChIInChI=1S/C10H16N2O4S/c1-7-5-8(13)12(9(7)14)6-10(2,3)11-17(4,15)16/h5,11H,6H2,1-4H3
InChIKeyTYMOARDSSRXGDM-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.37
Rot. Bonds4

About N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide (PubChem CID 63859347) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide
PubChem CID63859347
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide
SMILESCC1=CC(=O)N(CC(C)(C)NS(C)(=O)=O)C1=O
InChIInChI=1S/C10H16N2O4S/c1-7-5-8(13)12(9(7)14)6-10(2,3)11-17(4,15)16/h5,11H,6H2,1-4H3
InChIKeyTYMOARDSSRXGDM-UHFFFAOYSA-N
XLogP-0.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide (CID 63859347) is N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide is CC1=CC(=O)N(CC(C)(C)NS(C)(=O)=O)C1=O.
What is the InChIKey of N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide?
The InChIKey is TYMOARDSSRXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7-5-8(13)12(9(7)14)6-10(2,3)11-17(4,15)16/h5,11H,6H2,1-4H3.
What are the key properties of N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide has a molecular weight of 260.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).