6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine

C14H14N2S — CID 116516591

IUPAC6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine
SMILESNc1ccc(SC2CC2c2ccccc2)nc1
InChIInChI=1S/C14H14N2S/c15-11-6-7-14(16-9-11)17-13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8,15H2
InChIKeyVFCBZZCLABGHQR-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.31
Rot. Bonds3

About 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine

6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine (PubChem CID 116516591) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine
PubChem CID116516591
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine
SMILESNc1ccc(SC2CC2c2ccccc2)nc1
InChIInChI=1S/C14H14N2S/c15-11-6-7-14(16-9-11)17-13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8,15H2
InChIKeyVFCBZZCLABGHQR-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine (CID 116516591) is 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine is Nc1ccc(SC2CC2c2ccccc2)nc1.
What is the InChIKey of 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine?
The InChIKey is VFCBZZCLABGHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c15-11-6-7-14(16-9-11)17-13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8,15H2.
What are the key properties of 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine?
6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine has a molecular weight of 242.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylcyclopropyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 116516591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).