4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine

C12H13N3S — CID 60893029

IUPAC4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCCc1ccncc1
InChIInChI=1S/C12H13N3S/c13-11-9-15-7-3-12(11)16-8-4-10-1-5-14-6-2-10/h1-3,5-7,9H,4,8,13H2
InChIKeyZFTWSLKEZOUQIX-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.39
Rot. Bonds4

About 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine

4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine (PubChem CID 60893029) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
PubChem CID60893029
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCCc1ccncc1
InChIInChI=1S/C12H13N3S/c13-11-9-15-7-3-12(11)16-8-4-10-1-5-14-6-2-10/h1-3,5-7,9H,4,8,13H2
InChIKeyZFTWSLKEZOUQIX-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
4-pent-3-ynylsulfanylpyridin-3-amine
CID 104808050
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
CID 65443798
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
2-(pyridin-4-ylmethylsulfanyl)aniline
CID 12618215

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine (CID 60893029) is 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine is Nc1cnccc1SCCc1ccncc1.
What is the InChIKey of 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine?
The InChIKey is ZFTWSLKEZOUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-11-9-15-7-3-12(11)16-8-4-10-1-5-14-6-2-10/h1-3,5-7,9H,4,8,13H2.
What are the key properties of 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine?
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine has a molecular weight of 231.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 60893029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).