1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol

C13H19NO2S — CID 113343184

IUPAC1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCS(=O)CCCNC1CCc2c(O)cccc21
InChIInChI=1S/C13H19NO2S/c1-17(16)9-3-8-14-12-7-6-11-10(12)4-2-5-13(11)15/h2,4-5,12,14-15H,3,6-9H2,1H3
InChIKeyOUFPYWPADSHGIS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.74
Rot. Bonds5

About 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol

1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 113343184) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID113343184
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCS(=O)CCCNC1CCc2c(O)cccc21
InChIInChI=1S/C13H19NO2S/c1-17(16)9-3-8-14-12-7-6-11-10(12)4-2-5-13(11)15/h2,4-5,12,14-15H,3,6-9H2,1H3
InChIKeyOUFPYWPADSHGIS-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol (CID 113343184) is 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol is CS(=O)CCCNC1CCc2c(O)cccc21.
What is the InChIKey of 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is OUFPYWPADSHGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(16)9-3-8-14-12-7-6-11-10(12)4-2-5-13(11)15/h2,4-5,12,14-15H,3,6-9H2,1H3.
What are the key properties of 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol?
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 253.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 113343184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).