5-chloro-4-propylsulfanylpyridin-2-amine

C8H11ClN2S — CID 23438752

IUPAC5-chloro-4-propylsulfanylpyridin-2-amine
SMILESCCCSc1cc(N)ncc1Cl
InChIInChI=1S/C8H11ClN2S/c1-2-3-12-7-4-8(10)11-5-6(7)9/h4-5H,2-3H2,1H3,(H2,10,11)
InChIKeyNISBPTNEKKYRPS-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.82
Rot. Bonds3

About 5-chloro-4-propylsulfanylpyridin-2-amine

5-chloro-4-propylsulfanylpyridin-2-amine (PubChem CID 23438752) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 5-chloro-4-propylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-propylsulfanylpyridin-2-amine
PubChem CID23438752
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name5-chloro-4-propylsulfanylpyridin-2-amine
SMILESCCCSc1cc(N)ncc1Cl
InChIInChI=1S/C8H11ClN2S/c1-2-3-12-7-4-8(10)11-5-6(7)9/h4-5H,2-3H2,1H3,(H2,10,11)
InChIKeyNISBPTNEKKYRPS-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-propylsulfanylpyridin-2-amine?
The IUPAC name of 5-chloro-4-propylsulfanylpyridin-2-amine (CID 23438752) is 5-chloro-4-propylsulfanylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-propylsulfanylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-propylsulfanylpyridin-2-amine is CCCSc1cc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-propylsulfanylpyridin-2-amine?
The InChIKey is NISBPTNEKKYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-2-3-12-7-4-8(10)11-5-6(7)9/h4-5H,2-3H2,1H3,(H2,10,11).
What are the key properties of 5-chloro-4-propylsulfanylpyridin-2-amine?
5-chloro-4-propylsulfanylpyridin-2-amine has a molecular weight of 202.71 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-propylsulfanylpyridin-2-amine is sourced from PubChem (CID 23438752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).