N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine

C14H17ClN2O2S — CID 115697482

IUPACN-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H17ClN2O2S/c1-10(9-20(2,18)19)17-8-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,10,17H,8-9H2,1-2H3
InChIKeyCNZVTQYHDGLYJF-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.41
Rot. Bonds5

About N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine

N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 115697482) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID115697482
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H17ClN2O2S/c1-10(9-20(2,18)19)17-8-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,10,17H,8-9H2,1-2H3
InChIKeyCNZVTQYHDGLYJF-UHFFFAOYSA-N
XLogP2.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
N-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperazin-1-amine
CID 115959485
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
CID 103765844

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine (CID 115697482) is N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is CNZVTQYHDGLYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-10(9-20(2,18)19)17-8-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 312.82 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 115697482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).