N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine

C14H18N2OS — CID 113260886

IUPACN-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
SMILESCC(CCS(C)=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2OS/c1-11(9-10-18(2)17)15-14-8-7-12-5-3-4-6-13(12)16-14/h3-8,11H,9-10H2,1-2H3,(H,15,16)
InChIKeyARYGQCRHZQPUBL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.80
Rot. Bonds5

About N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine

N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine (PubChem CID 113260886) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
PubChem CID113260886
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
SMILESCC(CCS(C)=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2OS/c1-11(9-10-18(2)17)15-14-8-7-12-5-3-4-6-13(12)16-14/h3-8,11H,9-10H2,1-2H3,(H,15,16)
InChIKeyARYGQCRHZQPUBL-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
N-(4-methylsulfinylbutan-2-yl)cinnolin-4-amine
CID 113493566
N-[1-(4-fluorophenyl)propan-2-yl]quinolin-2-amine
CID 63541693
5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 106504278
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-2-amine
CID 716012
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine (CID 113260886) is N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine is CC(CCS(C)=O)Nc1ccc2ccccc2n1.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine?
The InChIKey is ARYGQCRHZQPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(9-10-18(2)17)15-14-8-7-12-5-3-4-6-13(12)16-14/h3-8,11H,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine?
N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine is sourced from PubChem (CID 113260886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).