[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine

C17H26N2S — CID 103353139

IUPAC[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(CC2CSc3ccccc32)C(CN)C1
InChIInChI=1S/C17H26N2S/c1-2-13-7-8-19(15(9-13)10-18)11-14-12-20-17-6-4-3-5-16(14)17/h3-6,13-15H,2,7-12,18H2,1H3
InChIKeyPSMXCWMFKNSUFH-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.33
Rot. Bonds4

About [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine

[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103353139) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine
PubChem CID103353139
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(CC2CSc3ccccc32)C(CN)C1
InChIInChI=1S/C17H26N2S/c1-2-13-7-8-19(15(9-13)10-18)11-14-12-20-17-6-4-3-5-16(14)17/h3-6,13-15H,2,7-12,18H2,1H3
InChIKeyPSMXCWMFKNSUFH-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine
CID 79221732
2-(bromomethyl)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidine
CID 80668670
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 79214950
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-yl]methanol
CID 116637161
1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538840
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethyl-5-methylpyrrolidine
CID 83218679
[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353345
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
3-[(3-ethylcyclohexyl)oxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403707

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine (CID 103353139) is [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(CC2CSc3ccccc32)C(CN)C1.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is PSMXCWMFKNSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-13-7-8-19(15(9-13)10-18)11-14-12-20-17-6-4-3-5-16(14)17/h3-6,13-15H,2,7-12,18H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine?
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 290.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103353139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).