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

C15H22N2S — CID 79220800

IUPAC[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1CSc2ccccc21
InChIInChI=1S/C15H22N2S/c16-9-13-5-3-4-8-17(13)10-12-11-18-15-7-2-1-6-14(12)15/h1-2,6-7,12-13H,3-5,8-11,16H2
InChIKeyIAEFJBAKHOGDEF-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.69
Rot. Bonds3

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

[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 79220800) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
PubChem CID79220800
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1CSc2ccccc21
InChIInChI=1S/C15H22N2S/c16-9-13-5-3-4-8-17(13)10-12-11-18-15-7-2-1-6-14(12)15/h1-2,6-7,12-13H,3-5,8-11,16H2
InChIKeyIAEFJBAKHOGDEF-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-yl]methanol
CID 116637161
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 79214950
2-(bromomethyl)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidine
CID 80668670
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)-4-ethylpiperidin-2-yl]methanamine
CID 103353139
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
CID 79222902
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azepan-2-yl]methanamine
CID 116640577
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine
CID 79221732
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097432

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine (CID 79220800) is [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine is NCC1CCCCN1CC1CSc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is IAEFJBAKHOGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c16-9-13-5-3-4-8-17(13)10-12-11-18-15-7-2-1-6-14(12)15/h1-2,6-7,12-13H,3-5,8-11,16H2.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine?
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 262.42 g/mol, XLogP of 2.69, 3 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)piperidin-2-yl]methanamine is sourced from PubChem (CID 79220800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).