3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol

C15H23NOS — CID 66128150

IUPAC3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2CC1SCCCO
InChIInChI=1S/C15H23NOS/c1-2-8-16-15-13-7-4-3-6-12(13)11-14(15)18-10-5-9-17/h3-4,6-7,14-17H,2,5,8-11H2,1H3
InChIKeyJHYKORIYGAJGNU-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.77
Rot. Bonds7

About 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol

3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol (PubChem CID 66128150) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
PubChem CID66128150
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2CC1SCCCO
InChIInChI=1S/C15H23NOS/c1-2-8-16-15-13-7-4-3-6-12(13)11-14(15)18-10-5-9-17/h3-4,6-7,14-17H,2,5,8-11H2,1H3
InChIKeyJHYKORIYGAJGNU-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.77
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 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol (CID 66128150) is 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol is CCCNC1c2ccccc2CC1SCCCO.
What is the InChIKey of 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
The InChIKey is JHYKORIYGAJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-8-16-15-13-7-4-3-6-12(13)11-14(15)18-10-5-9-17/h3-4,6-7,14-17H,2,5,8-11H2,1H3.
What are the key properties of 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 66128150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).