N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide

C11H20N2O4S — CID 81074914

IUPACN-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CO)n(C)c1
InChIInChI=1S/C11H20N2O4S/c1-4-17-6-5-13(3)18(15,16)11-7-10(9-14)12(2)8-11/h7-8,14H,4-6,9H2,1-3H3
InChIKeyRGSITPNYXRWXDB-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.17
Rot. Bonds7

About N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide

N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide (PubChem CID 81074914) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
PubChem CID81074914
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CO)n(C)c1
InChIInChI=1S/C11H20N2O4S/c1-4-17-6-5-13(3)18(15,16)11-7-10(9-14)12(2)8-11/h7-8,14H,4-6,9H2,1-3H3
InChIKeyRGSITPNYXRWXDB-UHFFFAOYSA-N
XLogP0.17
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide (CID 81074914) is N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1cc(CO)n(C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide?
The InChIKey is RGSITPNYXRWXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-4-17-6-5-13(3)18(15,16)11-7-10(9-14)12(2)8-11/h7-8,14H,4-6,9H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide?
N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 81074914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).