2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine

C14H12N2OS2 — CID 63737087

IUPAC2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1csc2ccccc12
InChIInChI=1S/C14H12N2OS2/c15-12-5-3-7-16-14(12)19(17)9-10-8-18-13-6-2-1-4-11(10)13/h1-8H,9,15H2
InChIKeyNSFOVWLUSVJZIV-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.19
Rot. Bonds3

About 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine

2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine (PubChem CID 63737087) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine
PubChem CID63737087
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1csc2ccccc12
InChIInChI=1S/C14H12N2OS2/c15-12-5-3-7-16-14(12)19(17)9-10-8-18-13-6-2-1-4-11(10)13/h1-8H,9,15H2
InChIKeyNSFOVWLUSVJZIV-UHFFFAOYSA-N
XLogP3.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine (CID 63737087) is 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine is Nc1cccnc1S(=O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine?
The InChIKey is NSFOVWLUSVJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c15-12-5-3-7-16-14(12)19(17)9-10-8-18-13-6-2-1-4-11(10)13/h1-8H,9,15H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine?
2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine has a molecular weight of 288.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 63737087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).