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

C14H22N2O3S — CID 63290046

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C14H22N2O3S/c1-19-9-4-10-20(17,18)16-8-7-12-11-15-14-6-3-2-5-13(12)14/h2-3,5-6,12,15-16H,4,7-11H2,1H3
InChIKeyMRGSDGPLEFLZGA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds8

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

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide (PubChem CID 63290046) 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]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide
PubChem CID63290046
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C14H22N2O3S/c1-19-9-4-10-20(17,18)16-8-7-12-11-15-14-6-3-2-5-13(12)14/h2-3,5-6,12,15-16H,4,7-11H2,1H3
InChIKeyMRGSDGPLEFLZGA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide (CID 63290046) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is MRGSDGPLEFLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-9-4-10-20(17,18)16-8-7-12-11-15-14-6-3-2-5-13(12)14/h2-3,5-6,12,15-16H,4,7-11H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide 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]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).