N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine

C15H18N2S — CID 105172644

IUPACN-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccc2cccnc2c1)C1CCSC1
InChIInChI=1S/C15H18N2S/c1-16-15(13-6-8-18-10-13)12-5-4-11-3-2-7-17-14(11)9-12/h2-5,7,9,13,15-16H,6,8,10H2,1H3
InChIKeyVYVXIEVZPGWWTR-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.25
Rot. Bonds3

About N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine

N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine (PubChem CID 105172644) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
PubChem CID105172644
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccc2cccnc2c1)C1CCSC1
InChIInChI=1S/C15H18N2S/c1-16-15(13-6-8-18-10-13)12-5-4-11-3-2-7-17-14(11)9-12/h2-5,7,9,13,15-16H,6,8,10H2,1H3
InChIKeyVYVXIEVZPGWWTR-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

quinolin-7-yl(thiolan-3-yl)methanamine
CID 105172672
1-cyclooctyl-N-methyl-1-quinolin-7-ylmethanamine
CID 81229901
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231705
N-methyl-1-(4-methylcyclohexyl)-1-quinolin-6-ylmethanamine
CID 64776674
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
1-quinolin-7-yl-2-(thian-4-yl)ethanamine
CID 105172620
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
1-(3,5-dimethylcyclohexyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 64729922
N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
CID 81224734
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814
[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
CID 105286981

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine (CID 105172644) is N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine is CNC(c1ccc2cccnc2c1)C1CCSC1.
What is the InChIKey of N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine?
The InChIKey is VYVXIEVZPGWWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-16-15(13-6-8-18-10-13)12-5-4-11-3-2-7-17-14(11)9-12/h2-5,7,9,13,15-16H,6,8,10H2,1H3.
What are the key properties of N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine?
N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105172644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).