N-(2-quinolin-8-ylethyl)thian-4-amine

C16H20N2S — CID 112727581

IUPACN-(2-quinolin-8-ylethyl)thian-4-amine
SMILESc1cnc2c(CCNC3CCSCC3)cccc2c1
InChIInChI=1S/C16H20N2S/c1-3-13-5-2-9-18-16(13)14(4-1)6-10-17-15-7-11-19-12-8-15/h1-5,9,15,17H,6-8,10-12H2
InChIKeyVQLHAHOYMIFDPJ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.26
Rot. Bonds4

About N-(2-quinolin-8-ylethyl)thian-4-amine

N-(2-quinolin-8-ylethyl)thian-4-amine (PubChem CID 112727581) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-(2-quinolin-8-ylethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-quinolin-8-ylethyl)thian-4-amine
PubChem CID112727581
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-(2-quinolin-8-ylethyl)thian-4-amine
SMILESc1cnc2c(CCNC3CCSCC3)cccc2c1
InChIInChI=1S/C16H20N2S/c1-3-13-5-2-9-18-16(13)14(4-1)6-10-17-15-7-11-19-12-8-15/h1-5,9,15,17H,6-8,10-12H2
InChIKeyVQLHAHOYMIFDPJ-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
trans-(1R,2R)-2-(2-quinolin-8-ylethylamino)cyclopentan-1-ol
CID 102733860
2,6-dimethyl-N-(2-quinolin-8-ylethyl)cyclohexan-1-amine
CID 81428785
1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
2-(aminomethyl)-N-(2-quinolin-8-ylethyl)cyclohexan-1-amine
CID 81427255
2-ethyl-N-(2-quinolin-8-ylethyl)cyclopentan-1-amine
CID 115708839
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N-propyl-1-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
CID 81428007
(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
CID 97223040
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-(2-quinolin-8-yloxyethyl)cyclopentanamine
CID 62599062

Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-8-ylethyl)thian-4-amine?
The IUPAC name of N-(2-quinolin-8-ylethyl)thian-4-amine (CID 112727581) is N-(2-quinolin-8-ylethyl)thian-4-amine.
What is the SMILES notation for N-(2-quinolin-8-ylethyl)thian-4-amine?
The canonical SMILES for N-(2-quinolin-8-ylethyl)thian-4-amine is c1cnc2c(CCNC3CCSCC3)cccc2c1.
What is the InChIKey of N-(2-quinolin-8-ylethyl)thian-4-amine?
The InChIKey is VQLHAHOYMIFDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-13-5-2-9-18-16(13)14(4-1)6-10-17-15-7-11-19-12-8-15/h1-5,9,15,17H,6-8,10-12H2.
What are the key properties of N-(2-quinolin-8-ylethyl)thian-4-amine?
N-(2-quinolin-8-ylethyl)thian-4-amine has a molecular weight of 272.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-8-ylethyl)thian-4-amine is sourced from PubChem (CID 112727581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).