N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine

C15H19N3S — CID 79958714

IUPACN-(5,5-dimethylthian-3-yl)quinoxalin-6-amine
SMILESCC1(C)CSCC(Nc2ccc3nccnc3c2)C1
InChIInChI=1S/C15H19N3S/c1-15(2)8-12(9-19-10-15)18-11-3-4-13-14(7-11)17-6-5-16-13/h3-7,12,18H,8-10H2,1-2H3
InChIKeyYOKOPPFBWCRIKG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.57
Rot. Bonds2

About N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine

N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine (PubChem CID 79958714) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(5,5-dimethylthian-3-yl)quinoxalin-6-amine
PubChem CID79958714
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(5,5-dimethylthian-3-yl)quinoxalin-6-amine
SMILESCC1(C)CSCC(Nc2ccc3nccnc3c2)C1
InChIInChI=1S/C15H19N3S/c1-15(2)8-12(9-19-10-15)18-11-3-4-13-14(7-11)17-6-5-16-13/h3-7,12,18H,8-10H2,1-2H3
InChIKeyYOKOPPFBWCRIKG-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine?
The IUPAC name of N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine (CID 79958714) is N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine?
The canonical SMILES for N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine is CC1(C)CSCC(Nc2ccc3nccnc3c2)C1.
What is the InChIKey of N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine?
The InChIKey is YOKOPPFBWCRIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2)8-12(9-19-10-15)18-11-3-4-13-14(7-11)17-6-5-16-13/h3-7,12,18H,8-10H2,1-2H3.
What are the key properties of N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine?
N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine has a molecular weight of 273.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine is sourced from PubChem (CID 79958714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).