2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine

C15H13N3OS — CID 61369413

IUPAC2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H13N3OS/c16-13-4-2-8-18-15(13)20(19)10-11-5-6-14-12(9-11)3-1-7-17-14/h1-9H,10,16H2
InChIKeyDZEIEUSCUHTKDP-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.52
Rot. Bonds3

About 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine

2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine (PubChem CID 61369413) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
PubChem CID61369413
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H13N3OS/c16-13-4-2-8-18-15(13)20(19)10-11-5-6-14-12(9-11)3-1-7-17-14/h1-9H,10,16H2
InChIKeyDZEIEUSCUHTKDP-UHFFFAOYSA-N
XLogP2.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 62113305
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
CID 61369423
3-(quinolin-6-ylmethylsulfinyl)butan-1-amine
CID 81194035
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
3-chloro-2-(quinolin-6-ylmethoxy)aniline
CID 107715957
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
CID 142789806
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
The IUPAC name of 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine (CID 61369413) is 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
The canonical SMILES for 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine is Nc1cccnc1S(=O)Cc1ccc2ncccc2c1.
What is the InChIKey of 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
The InChIKey is DZEIEUSCUHTKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-13-4-2-8-18-15(13)20(19)10-11-5-6-14-12(9-11)3-1-7-17-14/h1-9H,10,16H2.
What are the key properties of 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine has a molecular weight of 283.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 61369413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).