2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine

C16H20N2O2S — CID 75430530

IUPAC2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
SMILESCc1cc(NCC2(CS(C)(=O)=O)CC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O2S/c1-12-9-15(13-5-3-4-6-14(13)18-12)17-10-16(7-8-16)11-21(2,19)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyKHXJVVOLYWWBCE-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine

2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine (PubChem CID 75430530) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
PubChem CID75430530
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
SMILESCc1cc(NCC2(CS(C)(=O)=O)CC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O2S/c1-12-9-15(13-5-3-4-6-14(13)18-12)17-10-16(7-8-16)11-21(2,19)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyKHXJVVOLYWWBCE-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
CID 114759234
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 78953374
3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine
CID 75385744
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
CID 133344209
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine (CID 75430530) is 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine is Cc1cc(NCC2(CS(C)(=O)=O)CC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine?
The InChIKey is KHXJVVOLYWWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-9-15(13-5-3-4-6-14(13)18-12)17-10-16(7-8-16)11-21(2,19)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine?
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine has a molecular weight of 304.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine is sourced from PubChem (CID 75430530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).