6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide

C13H19N3O3S — CID 81053511

IUPAC6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H19N3O3S/c1-3-19-7-6-16(2)20(17,18)13-9-15-12-8-10(14)4-5-11(12)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3
InChIKeyLZMZXHSELUZASD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.41
Rot. Bonds6

About 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide

6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide (PubChem CID 81053511) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
PubChem CID81053511
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H19N3O3S/c1-3-19-7-6-16(2)20(17,18)13-9-15-12-8-10(14)4-5-11(12)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3
InChIKeyLZMZXHSELUZASD-UHFFFAOYSA-N
XLogP1.41
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide (CID 81053511) is 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
The InChIKey is LZMZXHSELUZASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-19-7-6-16(2)20(17,18)13-9-15-12-8-10(14)4-5-11(12)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3.
What are the key properties of 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 81053511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).