4-pyrrolidin-3-ylsulfanylpyridin-3-amine

C9H13N3S — CID 62328287

IUPAC4-pyrrolidin-3-ylsulfanylpyridin-3-amine
SMILESNc1cnccc1SC1CCNC1
InChIInChI=1S/C9H13N3S/c10-8-6-12-4-2-9(8)13-7-1-3-11-5-7/h2,4,6-7,11H,1,3,5,10H2
InChIKeyPRLUELFNGYHILP-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.12
Rot. Bonds2

About 4-pyrrolidin-3-ylsulfanylpyridin-3-amine

4-pyrrolidin-3-ylsulfanylpyridin-3-amine (PubChem CID 62328287) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-pyrrolidin-3-ylsulfanylpyridin-3-amine
PubChem CID62328287
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-pyrrolidin-3-ylsulfanylpyridin-3-amine
SMILESNc1cnccc1SC1CCNC1
InChIInChI=1S/C9H13N3S/c10-8-6-12-4-2-9(8)13-7-1-3-11-5-7/h2,4,6-7,11H,1,3,5,10H2
InChIKeyPRLUELFNGYHILP-UHFFFAOYSA-N
XLogP1.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylsulfanylpyridin-3-amine?
The IUPAC name of 4-pyrrolidin-3-ylsulfanylpyridin-3-amine (CID 62328287) is 4-pyrrolidin-3-ylsulfanylpyridin-3-amine.
What is the SMILES notation for 4-pyrrolidin-3-ylsulfanylpyridin-3-amine?
The canonical SMILES for 4-pyrrolidin-3-ylsulfanylpyridin-3-amine is Nc1cnccc1SC1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-ylsulfanylpyridin-3-amine?
The InChIKey is PRLUELFNGYHILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-8-6-12-4-2-9(8)13-7-1-3-11-5-7/h2,4,6-7,11H,1,3,5,10H2.
What are the key properties of 4-pyrrolidin-3-ylsulfanylpyridin-3-amine?
4-pyrrolidin-3-ylsulfanylpyridin-3-amine has a molecular weight of 195.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylsulfanylpyridin-3-amine is sourced from PubChem (CID 62328287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).