[4-(aminomethyl)-1-benzothiophen-3-yl]methanol

C10H11NOS — CID 117170804

IUPAC[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
SMILESNCc1cccc2scc(CO)c12
InChIInChI=1S/C10H11NOS/c11-4-7-2-1-3-9-10(7)8(5-12)6-13-9/h1-3,6,12H,4-5,11H2
InChIKeySNXSKWMAOQGWNZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.85
Rot. Bonds2

About [4-(aminomethyl)-1-benzothiophen-3-yl]methanol

[4-(aminomethyl)-1-benzothiophen-3-yl]methanol (PubChem CID 117170804) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is [4-(aminomethyl)-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
PubChem CID117170804
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
SMILESNCc1cccc2scc(CO)c12
InChIInChI=1S/C10H11NOS/c11-4-7-2-1-3-9-10(7)8(5-12)6-13-9/h1-3,6,12H,4-5,11H2
InChIKeySNXSKWMAOQGWNZ-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
CID 117170768
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
3-(hydroxymethyl)-1-benzothiophene-4-carboxylic acid
CID 117171039
4-(aminomethyl)-1-benzothiophene-3-carboxylic acid
CID 84779594
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781
3-(2-aminopropyl)-1-benzothiophen-4-ol
CID 117119334
[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
CID 170914048
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
4-(aminomethyl)-1,2-benzothiazole-3-carboxylic acid
CID 84780187
[4-bromo-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
CID 130885352
[5-chloro-4-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 131123869
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-benzothiophen-3-yl]methanol?
The IUPAC name of [4-(aminomethyl)-1-benzothiophen-3-yl]methanol (CID 117170804) is [4-(aminomethyl)-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)-1-benzothiophen-3-yl]methanol?
The canonical SMILES for [4-(aminomethyl)-1-benzothiophen-3-yl]methanol is NCc1cccc2scc(CO)c12.
What is the InChIKey of [4-(aminomethyl)-1-benzothiophen-3-yl]methanol?
The InChIKey is SNXSKWMAOQGWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c11-4-7-2-1-3-9-10(7)8(5-12)6-13-9/h1-3,6,12H,4-5,11H2.
What are the key properties of [4-(aminomethyl)-1-benzothiophen-3-yl]methanol?
[4-(aminomethyl)-1-benzothiophen-3-yl]methanol has a molecular weight of 193.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 117170804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).