5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide

C15H25N3O2S — CID 102661387

IUPAC5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C15H25N3O2S/c1-4-9-17-21(19,20)18-10-8-14-11-13(6-7-15(14)18)12(3)16-5-2/h6-7,11-12,16-17H,4-5,8-10H2,1-3H3
InChIKeyOFPUZVLNMQZBSB-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.96
Rot. Bonds7

About 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide

5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide (PubChem CID 102661387) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
PubChem CID102661387
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C15H25N3O2S/c1-4-9-17-21(19,20)18-10-8-14-11-13(6-7-15(14)18)12(3)16-5-2/h6-7,11-12,16-17H,4-5,8-10H2,1-3H3
InChIKeyOFPUZVLNMQZBSB-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
CID 102661359
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
N-cyclopropyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
CID 102661361
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757
5-(1-aminoethyl)-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 102661293
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400
N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide (CID 102661387) is 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide is CCCNS(=O)(=O)N1CCc2cc(C(C)NCC)ccc21.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide?
The InChIKey is OFPUZVLNMQZBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-9-17-21(19,20)18-10-8-14-11-13(6-7-15(14)18)12(3)16-5-2/h6-7,11-12,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide?
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 102661387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).