N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine

C17H23NOS — CID 105021865

IUPACN-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C1OCCC1C
InChIInChI=1S/C17H23NOS/c1-3-9-18-15(16-12(2)7-10-19-16)14-6-4-5-13-8-11-20-17(13)14/h4-6,8,11-12,15-16,18H,3,7,9-10H2,1-2H3
InChIKeyDUKUFOLISDDIMH-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.37
Rot. Bonds5

About N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105021865) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105021865
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C1OCCC1C
InChIInChI=1S/C17H23NOS/c1-3-9-18-15(16-12(2)7-10-19-16)14-6-4-5-13-8-11-20-17(13)14/h4-6,8,11-12,15-16,18H,3,7,9-10H2,1-2H3
InChIKeyDUKUFOLISDDIMH-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115856200
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 105021865) is N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc2ccsc12)C1OCCC1C.
What is the InChIKey of N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is DUKUFOLISDDIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-9-18-15(16-12(2)7-10-19-16)14-6-4-5-13-8-11-20-17(13)14/h4-6,8,11-12,15-16,18H,3,7,9-10H2,1-2H3.
What are the key properties of N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.37, 5 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-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).