5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide

C13H19N3O3S — CID 64853052

IUPAC5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H19N3O3S/c1-3-10(8-19-2)16-20(17,18)13-7-15-12-5-4-9(14)6-11(12)13/h4-7,10,15-16H,3,8,14H2,1-2H3
InChIKeyWOUKMKMAIDBUHL-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.45
Rot. Bonds6

About 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide

5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide (PubChem CID 64853052) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide
PubChem CID64853052
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H19N3O3S/c1-3-10(8-19-2)16-20(17,18)13-7-15-12-5-4-9(14)6-11(12)13/h4-7,10,15-16H,3,8,14H2,1-2H3
InChIKeyWOUKMKMAIDBUHL-UHFFFAOYSA-N
XLogP1.45
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64853043
5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 65022203
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide (CID 64853052) is 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide is CCC(COC)NS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide?
The InChIKey is WOUKMKMAIDBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-10(8-19-2)16-20(17,18)13-7-15-12-5-4-9(14)6-11(12)13/h4-7,10,15-16H,3,8,14H2,1-2H3.
What are the key properties of 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide?
5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64853052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).