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

C16H24N2S — CID 79228637

IUPAC[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC2Cc3ccccc3S2)C1CN
InChIInChI=1S/C16H24N2S/c1-12-5-4-8-18(15(12)10-17)11-14-9-13-6-2-3-7-16(13)19-14/h2-3,6-7,12,14-15H,4-5,8-11,17H2,1H3
InChIKeyNBVKTWJMNZQAOI-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.76
Rot. Bonds3

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

[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 79228637) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID79228637
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC2Cc3ccccc3S2)C1CN
InChIInChI=1S/C16H24N2S/c1-12-5-4-8-18(15(12)10-17)11-14-9-13-6-2-3-7-16(13)19-14/h2-3,6-7,12,14-15H,4-5,8-11,17H2,1H3
InChIKeyNBVKTWJMNZQAOI-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine (CID 79228637) is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine is CC1CCCN(CC2Cc3ccccc3S2)C1CN.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is NBVKTWJMNZQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-5-4-8-18(15(12)10-17)11-14-9-13-6-2-3-7-16(13)19-14/h2-3,6-7,12,14-15H,4-5,8-11,17H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine?
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 276.45 g/mol, XLogP of 2.76, 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-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 79228637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).