3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol

C12H15NOS — CID 116952885

IUPAC3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1csc2ccccc12
InChIInChI=1S/C12H15NOS/c1-13-11(6-7-14)10-8-15-12-5-3-2-4-9(10)12/h2-5,8,11,13-14H,6-7H2,1H3
InChIKeyQGNTZDGYAIOKDO-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.54
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol

3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol (PubChem CID 116952885) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
PubChem CID116952885
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1csc2ccccc12
InChIInChI=1S/C12H15NOS/c1-13-11(6-7-14)10-8-15-12-5-3-2-4-9(10)12/h2-5,8,11,13-14H,6-7H2,1H3
InChIKeyQGNTZDGYAIOKDO-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
CID 83176448
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 63507542

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol (CID 116952885) is 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol is CNC(CCO)c1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol?
The InChIKey is QGNTZDGYAIOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-13-11(6-7-14)10-8-15-12-5-3-2-4-9(10)12/h2-5,8,11,13-14H,6-7H2,1H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol?
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 116952885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).