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

C13H21N3O2S — CID 102661359

IUPACN-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C13H21N3O2S/c1-4-15-19(17,18)16-8-7-12-9-11(10(2)14-3)5-6-13(12)16/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeyLWDGTLWMVBNJFH-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.18
Rot. Bonds5

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

N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide (PubChem CID 102661359) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
PubChem CID102661359
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C13H21N3O2S/c1-4-15-19(17,18)16-8-7-12-9-11(10(2)14-3)5-6-13(12)16/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeyLWDGTLWMVBNJFH-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387
N-cyclopropyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
CID 102661361
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
5-(1-aminoethyl)-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 102661293
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661997
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide (CID 102661359) is N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide is CCNS(=O)(=O)N1CCc2cc(C(C)NC)ccc21.
What is the InChIKey of N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide?
The InChIKey is LWDGTLWMVBNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-15-19(17,18)16-8-7-12-9-11(10(2)14-3)5-6-13(12)16/h5-6,9-10,14-15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide?
N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 102661359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).