2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

C15H19NOS2 — CID 103595606

IUPAC2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)Cc1csc2ccccc12
InChIInChI=1S/C15H19NOS2/c1-16-6-7-18-10-13(16)14(17)8-11-9-19-15-5-3-2-4-12(11)15/h2-5,9,13-14,17H,6-8,10H2,1H3
InChIKeyHGFJYGVVCNUKDQ-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.85
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595606) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595606
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)Cc1csc2ccccc12
InChIInChI=1S/C15H19NOS2/c1-16-6-7-18-10-13(16)14(17)8-11-9-19-15-5-3-2-4-12(11)15/h2-5,9,13-14,17H,6-8,10H2,1H3
InChIKeyHGFJYGVVCNUKDQ-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-benzothiophen-3-yl)ethanol
CID 79094390
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595606) is 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is CN1CCSCC1C(O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is HGFJYGVVCNUKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-16-6-7-18-10-13(16)14(17)8-11-9-19-15-5-3-2-4-12(11)15/h2-5,9,13-14,17H,6-8,10H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 293.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).