1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol

C17H19NOS — CID 107682192

IUPAC1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCSc1ccccc1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H19NOS/c1-2-20-17-6-4-3-5-16(17)18-15-10-7-12-11-13(19)8-9-14(12)15/h3-6,8-9,11,15,18-19H,2,7,10H2,1H3
InChIKeyPTXGLDUHSPODQS-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.60
Rot. Bonds4

About 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol

1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682192) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682192
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCSc1ccccc1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H19NOS/c1-2-20-17-6-4-3-5-16(17)18-15-10-7-12-11-13(19)8-9-14(12)15/h3-6,8-9,11,15,18-19H,2,7,10H2,1H3
InChIKeyPTXGLDUHSPODQS-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682192) is 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol is CCSc1ccccc1NC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is PTXGLDUHSPODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-20-17-6-4-3-5-16(17)18-15-10-7-12-11-13(19)8-9-14(12)15/h3-6,8-9,11,15,18-19H,2,7,10H2,1H3.
What are the key properties of 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 285.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).