N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide

C7H10N2O4S — CID 43546111

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O4S/c1-14(12,13)8-4-5-9-6(10)2-3-7(9)11/h2-3,8H,4-5H2,1H3
InChIKeyMROYXDGCXAALMX-UHFFFAOYSA-N
MW218.23 g/mol
LogP-1.54
Rot. Bonds4

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide (PubChem CID 43546111) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
PubChem CID43546111
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O4S/c1-14(12,13)8-4-5-9-6(10)2-3-7(9)11/h2-3,8H,4-5H2,1H3
InChIKeyMROYXDGCXAALMX-UHFFFAOYSA-N
XLogP-1.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.54
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-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide (CID 43546111) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide?
The InChIKey is MROYXDGCXAALMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-14(12,13)8-4-5-9-6(10)2-3-7(9)11/h2-3,8H,4-5H2,1H3.
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide has a molecular weight of 218.23 g/mol, XLogP of -1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 43546111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).