[4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine

C15H18N2OS — CID 106494968

IUPAC[4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1SCC1CCCO1
InChIInChI=1S/C15H18N2OS/c16-8-11-9-17-14-6-2-1-5-13(14)15(11)19-10-12-4-3-7-18-12/h1-2,5-6,9,12H,3-4,7-8,10,16H2
InChIKeyIKFNWXCGQVXPSP-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.96
Rot. Bonds4

About [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine

[4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine (PubChem CID 106494968) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine
PubChem CID106494968
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1SCC1CCCO1
InChIInChI=1S/C15H18N2OS/c16-8-11-9-17-14-6-2-1-5-13(14)15(11)19-10-12-4-3-7-18-12/h1-2,5-6,9,12H,3-4,7-8,10,16H2
InChIKeyIKFNWXCGQVXPSP-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethylsulfanyl)quinoline-3-carboxylic acid
CID 106493768
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
CID 106496659
[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
CID 107781032
6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494989
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
[2-[2-(oxolan-2-ylmethylsulfanyl)ethoxy]phenyl]methanamine
CID 106495037
[2-[3-(oxolan-2-ylmethylsulfanyl)propoxy]phenyl]methanamine
CID 106495036
6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline
CID 7149454
3-(5-methyl-2-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 95737542
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
3-[(2-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 42054679

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine?
The IUPAC name of [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine (CID 106494968) is [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine.
What is the SMILES notation for [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine?
The canonical SMILES for [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine is NCc1cnc2ccccc2c1SCC1CCCO1.
What is the InChIKey of [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine?
The InChIKey is IKFNWXCGQVXPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-8-11-9-17-14-6-2-1-5-13(14)15(11)19-10-12-4-3-7-18-12/h1-2,5-6,9,12H,3-4,7-8,10,16H2.
What are the key properties of [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine?
[4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethylsulfanyl)quinolin-3-yl]methanamine is sourced from PubChem (CID 106494968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).