3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine

C15H20N4O2S — CID 47982906

IUPAC3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H20N4O2S/c1-11-15(18-14-8-4-3-7-13(14)16-11)17-12-6-5-9-19(10-12)22(2,20)21/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyMLFJITJPEVPOCD-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine

3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine (PubChem CID 47982906) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
PubChem CID47982906
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H20N4O2S/c1-11-15(18-14-8-4-3-7-13(14)16-11)17-12-6-5-9-19(10-12)22(2,20)21/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyMLFJITJPEVPOCD-UHFFFAOYSA-N
XLogP1.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249
N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
CID 133274243
4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154801658
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836
6-methyl-N-(1-methylsulfonylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 50996941
1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 47982910
N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
CID 47406251
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 64731715
2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995340
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine (CID 47982906) is 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine?
The InChIKey is MLFJITJPEVPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-15(18-14-8-4-3-7-13(14)16-11)17-12-6-5-9-19(10-12)22(2,20)21/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine?
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine has a molecular weight of 320.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine is sourced from PubChem (CID 47982906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).