N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

C15H16N2S — CID 81344909

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1cccnc1CNC1CSc2ccccc21
InChIInChI=1S/C15H16N2S/c1-11-5-4-8-16-13(11)9-17-14-10-18-15-7-3-2-6-12(14)15/h2-8,14,17H,9-10H2,1H3
InChIKeyUDWYGEQVDPOLEM-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.33
Rot. Bonds3

About N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81344909) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81344909
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1cccnc1CNC1CSc2ccccc21
InChIInChI=1S/C15H16N2S/c1-11-5-4-8-16-13(11)9-17-14-10-18-15-7-3-2-6-12(14)15/h2-8,14,17H,9-10H2,1H3
InChIKeyUDWYGEQVDPOLEM-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81344909) is N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is Cc1cccnc1CNC1CSc2ccccc21.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is UDWYGEQVDPOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-5-4-8-16-13(11)9-17-14-10-18-15-7-3-2-6-12(14)15/h2-8,14,17H,9-10H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 256.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).