N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine

C16H21NOS — CID 105022130

IUPACN-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)C1COC(C)C1
InChIInChI=1S/C16H21NOS/c1-3-17-15(13-9-11(2)18-10-13)14-6-4-5-12-7-8-19-16(12)14/h4-8,11,13,15,17H,3,9-10H2,1-2H3
InChIKeySOUCJGAGJKPESS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.98
Rot. Bonds4

About N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105022130) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105022130
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)C1COC(C)C1
InChIInChI=1S/C16H21NOS/c1-3-17-15(13-9-11(2)18-10-13)14-6-4-5-12-7-8-19-16(12)14/h4-8,11,13,15,17H,3,9-10H2,1-2H3
InChIKeySOUCJGAGJKPESS-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105025194
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825204
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
[1-benzothiophen-7-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210240

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine (CID 105022130) is N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cccc2ccsc12)C1COC(C)C1.
What is the InChIKey of N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is SOUCJGAGJKPESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-17-15(13-9-11(2)18-10-13)14-6-4-5-12-7-8-19-16(12)14/h4-8,11,13,15,17H,3,9-10H2,1-2H3.
What are the key properties of N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105022130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).