N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine

C16H20N2S — CID 80528780

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
SMILESCC1(CNCc2ccc3ccccc3n2)CCCS1
InChIInChI=1S/C16H20N2S/c1-16(9-4-10-19-16)12-17-11-14-8-7-13-5-2-3-6-15(13)18-14/h2-3,5-8,17H,4,9-12H2,1H3
InChIKeyKYRILHSTZQFLHY-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine

N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine (PubChem CID 80528780) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
PubChem CID80528780
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
SMILESCC1(CNCc2ccc3ccccc3n2)CCCS1
InChIInChI=1S/C16H20N2S/c1-16(9-4-10-19-16)12-17-11-14-8-7-13-5-2-3-6-15(13)18-14/h2-3,5-8,17H,4,9-12H2,1H3
InChIKeyKYRILHSTZQFLHY-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(quinolin-2-ylmethyl)oxan-4-amine
CID 115757945
N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 80723291
1-(2,2-dimethylcyclopropyl)-N-(quinolin-2-ylmethyl)methanamine
CID 103699442
1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528627
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80524197
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528815
[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 80528732
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
[1-(1-methylcyclopentyl)-2-quinolin-2-ylethyl]hydrazine
CID 105316272
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine (CID 80528780) is N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine is CC1(CNCc2ccc3ccccc3n2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine?
The InChIKey is KYRILHSTZQFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(9-4-10-19-16)12-17-11-14-8-7-13-5-2-3-6-15(13)18-14/h2-3,5-8,17H,4,9-12H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine?
N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 80528780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).