N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine

C15H20N2OS — CID 50963125

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine
SMILESCOC[C@H](C)Nc1cc(C)c2ccc(SC)cc2n1
InChIInChI=1S/C15H20N2OS/c1-10-7-15(16-11(2)9-18-3)17-14-8-12(19-4)5-6-13(10)14/h5-8,11H,9H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyFHRXCOMWVKSAFF-NSHDSACASA-N
MW276.41 g/mol
LogP3.71
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine

N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine (PubChem CID 50963125) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine
PubChem CID50963125
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine
SMILESCOC[C@H](C)Nc1cc(C)c2ccc(SC)cc2n1
InChIInChI=1S/C15H20N2OS/c1-10-7-15(16-11(2)9-18-3)17-14-8-12(19-4)5-6-13(10)14/h5-8,11H,9H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyFHRXCOMWVKSAFF-NSHDSACASA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine (CID 50963125) is N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine is COC[C@H](C)Nc1cc(C)c2ccc(SC)cc2n1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine?
The InChIKey is FHRXCOMWVKSAFF-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-7-15(16-11(2)9-18-3)17-14-8-12(19-4)5-6-13(10)14/h5-8,11H,9H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine?
N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-4-methyl-7-methylsulfanylquinolin-2-amine is sourced from PubChem (CID 50963125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).