2-(2-aminoethyl)-1-benzothiophen-6-ol

C10H11NOS — CID 82605292

IUPAC2-(2-aminoethyl)-1-benzothiophen-6-ol
SMILESNCCc1cc2ccc(O)cc2s1
InChIInChI=1S/C10H11NOS/c11-4-3-9-5-7-1-2-8(12)6-10(7)13-9/h1-2,5-6,12H,3-4,11H2
InChIKeyNZVGYSNVRQSHNI-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.11
Rot. Bonds2

About 2-(2-aminoethyl)-1-benzothiophen-6-ol

2-(2-aminoethyl)-1-benzothiophen-6-ol (PubChem CID 82605292) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-1-benzothiophen-6-ol
PubChem CID82605292
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(2-aminoethyl)-1-benzothiophen-6-ol
SMILESNCCc1cc2ccc(O)cc2s1
InChIInChI=1S/C10H11NOS/c11-4-3-9-5-7-1-2-8(12)6-10(7)13-9/h1-2,5-6,12H,3-4,11H2
InChIKeyNZVGYSNVRQSHNI-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(2-aminoethyl)-1-benzothiophen-6-ol (CID 82605292) is 2-(2-aminoethyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(2-aminoethyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(2-aminoethyl)-1-benzothiophen-6-ol is NCCc1cc2ccc(O)cc2s1.
What is the InChIKey of 2-(2-aminoethyl)-1-benzothiophen-6-ol?
The InChIKey is NZVGYSNVRQSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c11-4-3-9-5-7-1-2-8(12)6-10(7)13-9/h1-2,5-6,12H,3-4,11H2.
What are the key properties of 2-(2-aminoethyl)-1-benzothiophen-6-ol?
2-(2-aminoethyl)-1-benzothiophen-6-ol has a molecular weight of 193.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 82605292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).