3-(aminomethyl)-1-benzothiophen-5-ol

C9H9NOS — CID 117120749

IUPAC3-(aminomethyl)-1-benzothiophen-5-ol
SMILESNCc1csc2ccc(O)cc12
InChIInChI=1S/C9H9NOS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,11H,4,10H2
InChIKeyRBISAZGBVFTZFE-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.07
Rot. Bonds1

About 3-(aminomethyl)-1-benzothiophen-5-ol

3-(aminomethyl)-1-benzothiophen-5-ol (PubChem CID 117120749) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzothiophen-5-ol
PubChem CID117120749
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name3-(aminomethyl)-1-benzothiophen-5-ol
SMILESNCc1csc2ccc(O)cc12
InChIInChI=1S/C9H9NOS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,11H,4,10H2
InChIKeyRBISAZGBVFTZFE-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo[b]thiophen-5-ol
CID 12203499
Benzo(b)thiophen-5-ol, 3-(2-aminoethyl)-
CID 25600
3-Methylbenzo[b]thiophen-5-ol
CID 12575560
AANAT Inhibitor, 12d
CID 57340191
3-(5-Hydroxy-1-benzothiophen-3-yl)alanine
CID 32334
3-(2-(Dimethylamino)ethyl)benzo(b)thiophene-5-ol
CID 34249
5-Methoxybenzo(b)thiophene-3-ethanamine
CID 34829
Benzo[b]thiophene-5-ol, 2,3-dimethyl-
CID 23215480
4-(4-Hydroxyphenyl)thiophene-2-carbothioamide
CID 132137110
2,2,2-trifluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 21916731
3-[2-(Fluoromethylamino)ethyl]-1-benzothiophen-4-ol
CID 167469385
2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 174424878

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzothiophen-5-ol?
The IUPAC name of 3-(aminomethyl)-1-benzothiophen-5-ol (CID 117120749) is 3-(aminomethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 3-(aminomethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 3-(aminomethyl)-1-benzothiophen-5-ol is NCc1csc2ccc(O)cc12.
What is the InChIKey of 3-(aminomethyl)-1-benzothiophen-5-ol?
The InChIKey is RBISAZGBVFTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,11H,4,10H2.
What are the key properties of 3-(aminomethyl)-1-benzothiophen-5-ol?
3-(aminomethyl)-1-benzothiophen-5-ol has a molecular weight of 179.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzothiophen-5-ol is sourced from PubChem (CID 117120749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).