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

C14H18N2OS — CID 115764309

IUPAC3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCC(C)S(C)=O
InChIInChI=1S/C14H18N2OS/c1-10-8-12-6-4-5-7-13(12)16-14(10)15-9-11(2)18(3)17/h4-8,11H,9H2,1-3H3,(H,15,16)
InChIKeyAZOYSBFMCBNZMJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.72
Rot. Bonds4

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

3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine (PubChem CID 115764309) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
PubChem CID115764309
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCC(C)S(C)=O
InChIInChI=1S/C14H18N2OS/c1-10-8-12-6-4-5-7-13(12)16-14(10)15-9-11(2)18(3)17/h4-8,11H,9H2,1-3H3,(H,15,16)
InChIKeyAZOYSBFMCBNZMJ-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
CID 115764306
3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
CID 97235078
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
CID 63296727
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
CID 167779132
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889
2-[(3-methylquinolin-2-yl)amino]propanamide
CID 63229343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine (CID 115764309) is 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine is Cc1cc2ccccc2nc1NCC(C)S(C)=O.
What is the InChIKey of 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine?
The InChIKey is AZOYSBFMCBNZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-8-12-6-4-5-7-13(12)16-14(10)15-9-11(2)18(3)17/h4-8,11H,9H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine?
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine is sourced from PubChem (CID 115764309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).