1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine

C13H19NO2S — CID 112745808

IUPAC1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine
SMILESCCS(=O)(=O)CCC1CCc2cc(N)ccc21
InChIInChI=1S/C13H19NO2S/c1-2-17(15,16)8-7-10-3-4-11-9-12(14)5-6-13(10)11/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyKLRWBGCGGDADIR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine

1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 112745808) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID112745808
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine
SMILESCCS(=O)(=O)CCC1CCc2cc(N)ccc21
InChIInChI=1S/C13H19NO2S/c1-2-17(15,16)8-7-10-3-4-11-9-12(14)5-6-13(10)11/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyKLRWBGCGGDADIR-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine (CID 112745808) is 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine is CCS(=O)(=O)CCC1CCc2cc(N)ccc21.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is KLRWBGCGGDADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-17(15,16)8-7-10-3-4-11-9-12(14)5-6-13(10)11/h5-6,9-10H,2-4,7-8,14H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine?
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 253.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 112745808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).