[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide

C13H19N3O2S — CID 70378764

IUPAC[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide
SMILESCCn1cc(CCN)c2cc(CS(N)(=O)=O)ccc21
InChIInChI=1S/C13H19N3O2S/c1-2-16-8-11(5-6-14)12-7-10(3-4-13(12)16)9-19(15,17)18/h3-4,7-8H,2,5-6,9,14H2,1H3,(H2,15,17,18)
InChIKeyROLXEJBYHJHNHC-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.95
Rot. Bonds5

About [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide

[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide (PubChem CID 70378764) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide
PubChem CID70378764
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide
SMILESCCn1cc(CCN)c2cc(CS(N)(=O)=O)ccc21
InChIInChI=1S/C13H19N3O2S/c1-2-16-8-11(5-6-14)12-7-10(3-4-13(12)16)9-19(15,17)18/h3-4,7-8H,2,5-6,9,14H2,1H3,(H2,15,17,18)
InChIKeyROLXEJBYHJHNHC-UHFFFAOYSA-N
XLogP0.95
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide?
The IUPAC name of [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide (CID 70378764) is [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide.
What is the SMILES notation for [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide?
The canonical SMILES for [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide is CCn1cc(CCN)c2cc(CS(N)(=O)=O)ccc21.
What is the InChIKey of [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide?
The InChIKey is ROLXEJBYHJHNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-16-8-11(5-6-14)12-7-10(3-4-13(12)16)9-19(15,17)18/h3-4,7-8H,2,5-6,9,14H2,1H3,(H2,15,17,18).
What are the key properties of [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide?
[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide is sourced from PubChem (CID 70378764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).