5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide

C12H17N3O3S — CID 64853043

IUPAC5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3O3S/c1-15(5-6-18-2)19(16,17)12-8-14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyVFOYETWBZQCCMA-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.02
Rot. Bonds5

About 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide

5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide (PubChem CID 64853043) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
PubChem CID64853043
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3O3S/c1-15(5-6-18-2)19(16,17)12-8-14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyVFOYETWBZQCCMA-UHFFFAOYSA-N
XLogP1.02
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide (CID 64853043) is 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide is COCCN(C)S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
The InChIKey is VFOYETWBZQCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(5-6-18-2)19(16,17)12-8-14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide?
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 64853043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).