N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine

C20H21N3S — CID 143138905

IUPACN,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine
SMILESCN(C)C1CN(c2cccc3cc(Sc4ccccc4)cnc23)C1
InChIInChI=1S/C20H21N3S/c1-22(2)16-13-23(14-16)19-10-6-7-15-11-18(12-21-20(15)19)24-17-8-4-3-5-9-17/h3-12,16H,13-14H2,1-2H3
InChIKeyVUQHZFIRVCQXEQ-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.14
Rot. Bonds4

About N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine

N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine (PubChem CID 143138905) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine
PubChem CID143138905
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC NameN,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine
SMILESCN(C)C1CN(c2cccc3cc(Sc4ccccc4)cnc23)C1
InChIInChI=1S/C20H21N3S/c1-22(2)16-13-23(14-16)19-10-6-7-15-11-18(12-21-20(15)19)24-17-8-4-3-5-9-17/h3-12,16H,13-14H2,1-2H3
InChIKeyVUQHZFIRVCQXEQ-UHFFFAOYSA-N
XLogP4.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine (CID 143138905) is N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine is CN(C)C1CN(c2cccc3cc(Sc4ccccc4)cnc23)C1.
What is the InChIKey of N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine?
The InChIKey is VUQHZFIRVCQXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-22(2)16-13-23(14-16)19-10-6-7-15-11-18(12-21-20(15)19)24-17-8-4-3-5-9-17/h3-12,16H,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine?
N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine has a molecular weight of 335.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine is sourced from PubChem (CID 143138905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).