5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide

C11H20N2O3S2 — CID 81067392

IUPAC5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CN)sc1C
InChIInChI=1S/C11H20N2O3S2/c1-4-16-6-5-13(3)18(14,15)11-7-10(8-12)17-9(11)2/h7H,4-6,8,12H2,1-3H3
InChIKeyLNNLZPQAJUDQKM-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.17
Rot. Bonds7

About 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide

5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide (PubChem CID 81067392) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
PubChem CID81067392
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CN)sc1C
InChIInChI=1S/C11H20N2O3S2/c1-4-16-6-5-13(3)18(14,15)11-7-10(8-12)17-9(11)2/h7H,4-6,8,12H2,1-3H3
InChIKeyLNNLZPQAJUDQKM-UHFFFAOYSA-N
XLogP1.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.17
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 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide (CID 81067392) is 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1cc(CN)sc1C.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide?
The InChIKey is LNNLZPQAJUDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-16-6-5-13(3)18(14,15)11-7-10(8-12)17-9(11)2/h7H,4-6,8,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 81067392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).