3-methyl-N-(thian-3-yl)quinoxalin-2-amine

C14H17N3S — CID 115675173

IUPAC3-methyl-N-(thian-3-yl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCCSC1
InChIInChI=1S/C14H17N3S/c1-10-14(16-11-5-4-8-18-9-11)17-13-7-3-2-6-12(13)15-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyQUDXTEKCGJAWFF-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.25
Rot. Bonds2

About 3-methyl-N-(thian-3-yl)quinoxalin-2-amine

3-methyl-N-(thian-3-yl)quinoxalin-2-amine (PubChem CID 115675173) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-methyl-N-(thian-3-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(thian-3-yl)quinoxalin-2-amine
PubChem CID115675173
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-methyl-N-(thian-3-yl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCCSC1
InChIInChI=1S/C14H17N3S/c1-10-14(16-11-5-4-8-18-9-11)17-13-7-3-2-6-12(13)15-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyQUDXTEKCGJAWFF-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
CID 103065179
N-(thian-3-yl)quinazolin-2-amine
CID 114789314
N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 64731715
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
3-methyl-N-(2-methylcyclohexyl)quinoxalin-2-amine
CID 60730168
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
3-methyl-N-(4-propylcyclohexyl)quinoxalin-2-amine
CID 63541823
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
2-N-[(3S)-thian-3-yl]quinazoline-2,4-diamine
CID 97250083
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
N-(2-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63540099
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thian-3-yl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(thian-3-yl)quinoxalin-2-amine (CID 115675173) is 3-methyl-N-(thian-3-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(thian-3-yl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(thian-3-yl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CCCSC1.
What is the InChIKey of 3-methyl-N-(thian-3-yl)quinoxalin-2-amine?
The InChIKey is QUDXTEKCGJAWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-14(16-11-5-4-8-18-9-11)17-13-7-3-2-6-12(13)15-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-(thian-3-yl)quinoxalin-2-amine?
3-methyl-N-(thian-3-yl)quinoxalin-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thian-3-yl)quinoxalin-2-amine is sourced from PubChem (CID 115675173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).