1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol

C16H21NO2S — CID 81153067

IUPAC1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCC(C)(C(O)c1cccc2ccsc12)N1CCOCC1
InChIInChI=1S/C16H21NO2S/c1-16(2,17-7-9-19-10-8-17)15(18)13-5-3-4-12-6-11-20-14(12)13/h3-6,11,15,18H,7-10H2,1-2H3
InChIKeySXEBGBUAXMGADR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.05
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol

1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol (PubChem CID 81153067) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
PubChem CID81153067
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCC(C)(C(O)c1cccc2ccsc12)N1CCOCC1
InChIInChI=1S/C16H21NO2S/c1-16(2,17-7-9-19-10-8-17)15(18)13-5-3-4-12-6-11-20-14(12)13/h3-6,11,15,18H,7-10H2,1-2H3
InChIKeySXEBGBUAXMGADR-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
1-(furan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045813
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
CID 81153991
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 106762078
1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol
CID 115827254
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
2-methyl-1-(3-methyltriazol-4-yl)-2-morpholin-4-ylpropan-1-ol
CID 114686567
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol (CID 81153067) is 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol is CC(C)(C(O)c1cccc2ccsc12)N1CCOCC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The InChIKey is SXEBGBUAXMGADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(2,17-7-9-19-10-8-17)15(18)13-5-3-4-12-6-11-20-14(12)13/h3-6,11,15,18H,7-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol has a molecular weight of 291.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 81153067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).