2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine

C14H14N2S — CID 105098031

IUPAC2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
SMILESNC(c1cccnc1)C1Cc2ccccc2S1
InChIInChI=1S/C14H14N2S/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-7,9,13-14H,8,15H2
InChIKeyQZQLQDCWVAPPTP-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.80
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine

2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine (PubChem CID 105098031) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
PubChem CID105098031
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
SMILESNC(c1cccnc1)C1Cc2ccccc2S1
InChIInChI=1S/C14H14N2S/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-7,9,13-14H,8,15H2
InChIKeyQZQLQDCWVAPPTP-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105314735

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine (CID 105098031) is 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine is NC(c1cccnc1)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine?
The InChIKey is QZQLQDCWVAPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-7,9,13-14H,8,15H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine?
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine has a molecular weight of 242.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine is sourced from PubChem (CID 105098031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).