1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide

C14H21N3O3S — CID 63253957

IUPAC1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(C)N)ccc21
InChIInChI=1S/C14H21N3O3S/c1-10(15)5-7-16-21(19,20)13-3-4-14-12(9-13)6-8-17(14)11(2)18/h3-4,9-10,16H,5-8,15H2,1-2H3
InChIKeyPPXZULFXMUFDAA-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.61
Rot. Bonds5

About 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 63253957) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID63253957
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(C)N)ccc21
InChIInChI=1S/C14H21N3O3S/c1-10(15)5-7-16-21(19,20)13-3-4-14-12(9-13)6-8-17(14)11(2)18/h3-4,9-10,16H,5-8,15H2,1-2H3
InChIKeyPPXZULFXMUFDAA-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 30365992
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide (CID 63253957) is 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCC(C)N)ccc21.
What is the InChIKey of 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PPXZULFXMUFDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(15)5-7-16-21(19,20)13-3-4-14-12(9-13)6-8-17(14)11(2)18/h3-4,9-10,16H,5-8,15H2,1-2H3.
What are the key properties of 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 63253957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).