1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide

C11H17N3O2S — CID 28917333

IUPAC1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
SMILESNCCCN1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C11H17N3O2S/c12-5-1-6-14-7-4-9-8-10(17(13,15)16)2-3-11(9)14/h2-3,8H,1,4-7,12H2,(H2,13,15,16)
InChIKeyFMXYAHDYNDSDEY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.05
Rot. Bonds4

About 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide

1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 28917333) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID28917333
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
SMILESNCCCN1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C11H17N3O2S/c12-5-1-6-14-7-4-9-8-10(17(13,15)16)2-3-11(9)14/h2-3,8H,1,4-7,12H2,(H2,13,15,16)
InChIKeyFMXYAHDYNDSDEY-UHFFFAOYSA-N
XLogP0.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanobutyl)-2,3-dihydroindole-6-sulfonamide
CID 71986862
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
CID 111496549
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 17407716
N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 17407802
1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 75386054
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide (CID 28917333) is 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide is NCCCN1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FMXYAHDYNDSDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-5-1-6-14-7-4-9-8-10(17(13,15)16)2-3-11(9)14/h2-3,8H,1,4-7,12H2,(H2,13,15,16).
What are the key properties of 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide?
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 28917333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).