N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine

C16H21N3S — CID 123272083

IUPACN-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine
SMILESCSCN1CCC(Nc2ccnc3ccccc23)CC1
InChIInChI=1S/C16H21N3S/c1-20-12-19-10-7-13(8-11-19)18-16-6-9-17-15-5-3-2-4-14(15)16/h2-6,9,13H,7-8,10-12H2,1H3,(H,17,18)
InChIKeyCHAXOYZTYNTVPM-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine

N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine (PubChem CID 123272083) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine
PubChem CID123272083
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine
SMILESCSCN1CCC(Nc2ccnc3ccccc23)CC1
InChIInChI=1S/C16H21N3S/c1-20-12-19-10-7-13(8-11-19)18-16-6-9-17-15-5-3-2-4-14(15)16/h2-6,9,13H,7-8,10-12H2,1H3,(H,17,18)
InChIKeyCHAXOYZTYNTVPM-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine?
The IUPAC name of N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine (CID 123272083) is N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine.
What is the SMILES notation for N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine?
The canonical SMILES for N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine is CSCN1CCC(Nc2ccnc3ccccc23)CC1.
What is the InChIKey of N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine?
The InChIKey is CHAXOYZTYNTVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-20-12-19-10-7-13(8-11-19)18-16-6-9-17-15-5-3-2-4-14(15)16/h2-6,9,13H,7-8,10-12H2,1H3,(H,17,18).
What are the key properties of N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine?
N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine is sourced from PubChem (CID 123272083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).