2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine

C15H19NOS2 — CID 79963628

IUPAC2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCNC(Cc1csc2ccccc12)C1CSCCO1
InChIInChI=1S/C15H19NOS2/c1-16-13(14-10-18-7-6-17-14)8-11-9-19-15-5-3-2-4-12(11)15/h2-5,9,13-14,16H,6-8,10H2,1H3
InChIKeyAIBNSCQXXCKEAC-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine

2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79963628) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79963628
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCNC(Cc1csc2ccccc12)C1CSCCO1
InChIInChI=1S/C15H19NOS2/c1-16-13(14-10-18-7-6-17-14)8-11-9-19-15-5-3-2-4-12(11)15/h2-5,9,13-14,16H,6-8,10H2,1H3
InChIKeyAIBNSCQXXCKEAC-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352423
2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963427
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963939
2-(1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115823929
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine (CID 79963628) is 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine is CNC(Cc1csc2ccccc12)C1CSCCO1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is AIBNSCQXXCKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-16-13(14-10-18-7-6-17-14)8-11-9-19-15-5-3-2-4-12(11)15/h2-5,9,13-14,16H,6-8,10H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.16, 4 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)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79963628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).