3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine

C13H16N4S — CID 102984663

IUPAC3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCC1CCCS1
InChIInChI=1S/C13H16N4S/c14-12-13(15-8-9-4-3-7-18-9)17-11-6-2-1-5-10(11)16-12/h1-2,5-6,9H,3-4,7-8H2,(H2,14,16)(H,15,17)
InChIKeyKTEQHBPRMVMLIC-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.52
Rot. Bonds3

About 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine

3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine (PubChem CID 102984663) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
PubChem CID102984663
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCC1CCCS1
InChIInChI=1S/C13H16N4S/c14-12-13(15-8-9-4-3-7-18-9)17-11-6-2-1-5-10(11)16-12/h1-2,5-6,9H,3-4,7-8H2,(H2,14,16)(H,15,17)
InChIKeyKTEQHBPRMVMLIC-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine (CID 102984663) is 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCC1CCCS1.
What is the InChIKey of 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine?
The InChIKey is KTEQHBPRMVMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c14-12-13(15-8-9-4-3-7-18-9)17-11-6-2-1-5-10(11)16-12/h1-2,5-6,9H,3-4,7-8H2,(H2,14,16)(H,15,17).
What are the key properties of 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine?
3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine has a molecular weight of 260.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102984663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).