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

C12H14N4S — CID 103065179

IUPAC3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NC1CCSC1
InChIInChI=1S/C12H14N4S/c13-11-12(14-8-5-6-17-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7H2,(H2,13,15)(H,14,16)
InChIKeyLBDDQVPDCPCTPA-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.13
Rot. Bonds2

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

3-N-(thiolan-3-yl)quinoxaline-2,3-diamine (PubChem CID 103065179) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
PubChem CID103065179
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NC1CCSC1
InChIInChI=1S/C12H14N4S/c13-11-12(14-8-5-6-17-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7H2,(H2,13,15)(H,14,16)
InChIKeyLBDDQVPDCPCTPA-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine (CID 103065179) is 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NC1CCSC1.
What is the InChIKey of 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine?
The InChIKey is LBDDQVPDCPCTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-11-12(14-8-5-6-17-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7H2,(H2,13,15)(H,14,16).
What are the key properties of 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine?
3-N-(thiolan-3-yl)quinoxaline-2,3-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(thiolan-3-yl)quinoxaline-2,3-diamine is sourced from PubChem (CID 103065179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).