3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine

C15H19N3O2S — CID 75385744

IUPAC3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C15H19N3O2S/c1-11-14(18-13-6-4-3-5-12(13)17-11)16-9-15(7-8-15)10-21(2,19)20/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyYPAIQCNLPJCEBB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.17
Rot. Bonds5

About 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine

3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine (PubChem CID 75385744) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine
PubChem CID75385744
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C15H19N3O2S/c1-11-14(18-13-6-4-3-5-12(13)17-11)16-9-15(7-8-15)10-21(2,19)20/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyYPAIQCNLPJCEBB-UHFFFAOYSA-N
XLogP2.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine (CID 75385744) is 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC1(CS(C)(=O)=O)CC1.
What is the InChIKey of 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine?
The InChIKey is YPAIQCNLPJCEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-14(18-13-6-4-3-5-12(13)17-11)16-9-15(7-8-15)10-21(2,19)20/h3-6H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine?
3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine has a molecular weight of 305.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 75385744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).