2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine

C13H16N2O2S — CID 105021598

IUPAC2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
SMILESCC(C(N)c1ccc2cccnc2c1)S(C)(=O)=O
InChIInChI=1S/C13H16N2O2S/c1-9(18(2,16)17)13(14)11-6-5-10-4-3-7-15-12(10)8-11/h3-9,13H,14H2,1-2H3
InChIKeyBUKJENTUUQAJGP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.67
Rot. Bonds3

About 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine

2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine (PubChem CID 105021598) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
PubChem CID105021598
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
SMILESCC(C(N)c1ccc2cccnc2c1)S(C)(=O)=O
InChIInChI=1S/C13H16N2O2S/c1-9(18(2,16)17)13(14)11-6-5-10-4-3-7-15-12(10)8-11/h3-9,13H,14H2,1-2H3
InChIKeyBUKJENTUUQAJGP-UHFFFAOYSA-N
XLogP1.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021408
2-methoxy-1-quinolin-7-ylpropan-1-amine
CID 81232148
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
2-methyl-1-quinolin-7-ylhexan-1-amine
CID 114246526
(3R)-3-quinolin-7-ylbutanal
CID 59922967
pyrimidin-2-yl(quinolin-7-yl)methanamine
CID 81220998
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
(1-methylcyclopropyl)-quinolin-7-ylmethanamine
CID 81231655
7-(4-bromopentan-2-yl)quinoline
CID 81221961
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine (CID 105021598) is 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine is CC(C(N)c1ccc2cccnc2c1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
The InChIKey is BUKJENTUUQAJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(18(2,16)17)13(14)11-6-5-10-4-3-7-15-12(10)8-11/h3-9,13H,14H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine has a molecular weight of 264.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine is sourced from PubChem (CID 105021598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).