2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine

C16H22N2O2S — CID 59768547

IUPAC2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cc(S(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C16H22N2O2S/c1-5-16(2,3)17-11-12-10-15(21(4,19)20)13-8-6-7-9-14(13)18-12/h6-10,17H,5,11H2,1-4H3
InChIKeyUGXAYSKULZTNDF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine

2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine (PubChem CID 59768547) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine
PubChem CID59768547
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cc(S(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C16H22N2O2S/c1-5-16(2,3)17-11-12-10-15(21(4,19)20)13-8-6-7-9-14(13)18-12/h6-10,17H,5,11H2,1-4H3
InChIKeyUGXAYSKULZTNDF-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine (CID 59768547) is 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine is CCC(C)(C)NCc1cc(S(C)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine?
The InChIKey is UGXAYSKULZTNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-16(2,3)17-11-12-10-15(21(4,19)20)13-8-6-7-9-14(13)18-12/h6-10,17H,5,11H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine?
2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 59768547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).