5-chloro-N-(thiolan-3-yl)pyridin-2-amine

C9H11ClN2S — CID 103705049

IUPAC5-chloro-N-(thiolan-3-yl)pyridin-2-amine
SMILESClc1ccc(NC2CCSC2)nc1
InChIInChI=1S/C9H11ClN2S/c10-7-1-2-9(11-5-7)12-8-3-4-13-6-8/h1-2,5,8H,3-4,6H2,(H,11,12)
InChIKeyYFQHRPXHYVSJQD-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.65
Rot. Bonds2

About 5-chloro-N-(thiolan-3-yl)pyridin-2-amine

5-chloro-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 103705049) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 5-chloro-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID103705049
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name5-chloro-N-(thiolan-3-yl)pyridin-2-amine
SMILESClc1ccc(NC2CCSC2)nc1
InChIInChI=1S/C9H11ClN2S/c10-7-1-2-9(11-5-7)12-8-3-4-13-6-8/h1-2,5,8H,3-4,6H2,(H,11,12)
InChIKeyYFQHRPXHYVSJQD-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(thiolan-3-yl)pyridin-2-amine (CID 103705049) is 5-chloro-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(thiolan-3-yl)pyridin-2-amine is Clc1ccc(NC2CCSC2)nc1.
What is the InChIKey of 5-chloro-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is YFQHRPXHYVSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c10-7-1-2-9(11-5-7)12-8-3-4-13-6-8/h1-2,5,8H,3-4,6H2,(H,11,12).
What are the key properties of 5-chloro-N-(thiolan-3-yl)pyridin-2-amine?
5-chloro-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 214.72 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 103705049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).