N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide

C14H22N2O3S — CID 63245562

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C14H22N2O3S/c1-2-19-9-10-20(17,18)16-8-7-12-11-15-14-6-4-3-5-13(12)14/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyOCYBFTFDTCWRLM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds8

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide (PubChem CID 63245562) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide
PubChem CID63245562
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C14H22N2O3S/c1-2-19-9-10-20(17,18)16-8-7-12-11-15-14-6-4-3-5-13(12)14/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyOCYBFTFDTCWRLM-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290046
ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
CID 114463228
N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]propan-2-amine
CID 114807450
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide
CID 62049751
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-ethylcyclobutan-1-amine
CID 113488821
3-[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid
CID 89053468
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide (CID 63245562) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide?
The InChIKey is OCYBFTFDTCWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-19-9-10-20(17,18)16-8-7-12-11-15-14-6-4-3-5-13(12)14/h3-6,12,15-16H,2,7-11H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63245562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).