[1-benzothiophen-3-ylmethyl(methyl)amino]methanol

C11H13NOS — CID 115229231

IUPAC[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1csc2ccccc12
InChIInChI=1S/C11H13NOS/c1-12(8-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,13H,6,8H2,1H3
InChIKeyKTAHCPOODSIFRW-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.28
Rot. Bonds3

About [1-benzothiophen-3-ylmethyl(methyl)amino]methanol

[1-benzothiophen-3-ylmethyl(methyl)amino]methanol (PubChem CID 115229231) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is [1-benzothiophen-3-ylmethyl(methyl)amino]methanol.

Molecular Properties

Compound Name[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
PubChem CID115229231
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1csc2ccccc12
InChIInChI=1S/C11H13NOS/c1-12(8-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,13H,6,8H2,1H3
InChIKeyKTAHCPOODSIFRW-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-benzothiophen-3-ylmethyl(methyl)amino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737038
3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 138045748
(E)-4-[1-benzothiophen-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237240
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
CID 126804186
methyl 4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]benzoate
CID 55703451
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-ylmethyl(methyl)amino]methanol?
The IUPAC name of [1-benzothiophen-3-ylmethyl(methyl)amino]methanol (CID 115229231) is [1-benzothiophen-3-ylmethyl(methyl)amino]methanol.
What is the SMILES notation for [1-benzothiophen-3-ylmethyl(methyl)amino]methanol?
The canonical SMILES for [1-benzothiophen-3-ylmethyl(methyl)amino]methanol is CN(CO)Cc1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-ylmethyl(methyl)amino]methanol?
The InChIKey is KTAHCPOODSIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12(8-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,13H,6,8H2,1H3.
What are the key properties of [1-benzothiophen-3-ylmethyl(methyl)amino]methanol?
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol has a molecular weight of 207.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-ylmethyl(methyl)amino]methanol is sourced from PubChem (CID 115229231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).