2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol

C16H18N2O2S — CID 68827014

IUPAC2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc2sc3ccc(N(CCO)CCO)cc3c2c1
InChIInChI=1S/C16H18N2O2S/c17-11-1-3-15-13(9-11)14-10-12(2-4-16(14)21-15)18(5-7-19)6-8-20/h1-4,9-10,19-20H,5-8,17H2
InChIKeyVMMYJOJIAKYJBW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.43
Rot. Bonds5

About 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol

2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 68827014) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID68827014
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc2sc3ccc(N(CCO)CCO)cc3c2c1
InChIInChI=1S/C16H18N2O2S/c17-11-1-3-15-13(9-11)14-10-12(2-4-16(14)21-15)18(5-7-19)6-8-20/h1-4,9-10,19-20H,5-8,17H2
InChIKeyVMMYJOJIAKYJBW-UHFFFAOYSA-N
XLogP2.43
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol (CID 68827014) is 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol is Nc1ccc2sc3ccc(N(CCO)CCO)cc3c2c1.
What is the InChIKey of 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VMMYJOJIAKYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-11-1-3-15-13(9-11)14-10-12(2-4-16(14)21-15)18(5-7-19)6-8-20/h1-4,9-10,19-20H,5-8,17H2.
What are the key properties of 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 302.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 68827014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).