5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol

C14H15NOS — CID 102829346

IUPAC5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol
SMILESCc1sccc1C1(O)CCc2cc(N)ccc21
InChIInChI=1S/C14H15NOS/c1-9-12(5-7-17-9)14(16)6-4-10-8-11(15)2-3-13(10)14/h2-3,5,7-8,16H,4,6,15H2,1H3
InChIKeyHMZHLUWFIHIGEE-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.82
Rot. Bonds1

About 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol

5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol (PubChem CID 102829346) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol
PubChem CID102829346
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol
SMILESCc1sccc1C1(O)CCc2cc(N)ccc21
InChIInChI=1S/C14H15NOS/c1-9-12(5-7-17-9)14(16)6-4-10-8-11(15)2-3-13(10)14/h2-3,5,7-8,16H,4,6,15H2,1H3
InChIKeyHMZHLUWFIHIGEE-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
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 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol (CID 102829346) is 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol is Cc1sccc1C1(O)CCc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol?
The InChIKey is HMZHLUWFIHIGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-9-12(5-7-17-9)14(16)6-4-10-8-11(15)2-3-13(10)14/h2-3,5,7-8,16H,4,6,15H2,1H3.
What are the key properties of 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol?
5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol has a molecular weight of 245.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 102829346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).