3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine

C13H17N3OS — CID 115764306

IUPAC3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C)S(C)=O
InChIInChI=1S/C13H17N3OS/c1-9(18(3)17)8-14-13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyBQVUCFAZNWIXIY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.12
Rot. Bonds4

About 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine

3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine (PubChem CID 115764306) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
PubChem CID115764306
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C)S(C)=O
InChIInChI=1S/C13H17N3OS/c1-9(18(3)17)8-14-13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyBQVUCFAZNWIXIY-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
CID 102913999
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine
CID 47430216
N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine
CID 65033321
3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine
CID 133301516
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine
CID 42892067
1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 63759107
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
CID 103705127
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
3-methyl-N-prop-2-enylquinoxalin-2-amine
CID 60734557

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine (CID 115764306) is 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(C)S(C)=O.
What is the InChIKey of 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine?
The InChIKey is BQVUCFAZNWIXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(18(3)17)8-14-13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine?
3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine is sourced from PubChem (CID 115764306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).