3-chloro-N-(thiolan-3-yl)pyrazin-2-amine

C8H10ClN3S — CID 103064284

IUPAC3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
SMILESClc1nccnc1NC1CCSC1
InChIInChI=1S/C8H10ClN3S/c9-7-8(11-3-2-10-7)12-6-1-4-13-5-6/h2-3,6H,1,4-5H2,(H,11,12)
InChIKeyGVEJDIFNIUOJQJ-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.05
Rot. Bonds2

About 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine

3-chloro-N-(thiolan-3-yl)pyrazin-2-amine (PubChem CID 103064284) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
PubChem CID103064284
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
SMILESClc1nccnc1NC1CCSC1
InChIInChI=1S/C8H10ClN3S/c9-7-8(11-3-2-10-7)12-6-1-4-13-5-6/h2-3,6H,1,4-5H2,(H,11,12)
InChIKeyGVEJDIFNIUOJQJ-UHFFFAOYSA-N
XLogP2.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine (CID 103064284) is 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine is Clc1nccnc1NC1CCSC1.
What is the InChIKey of 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine?
The InChIKey is GVEJDIFNIUOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c9-7-8(11-3-2-10-7)12-6-1-4-13-5-6/h2-3,6H,1,4-5H2,(H,11,12).
What are the key properties of 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine?
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine has a molecular weight of 215.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiolan-3-yl)pyrazin-2-amine is sourced from PubChem (CID 103064284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).