(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine

C15H18N2S — CID 81224264

IUPAC(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
SMILESCc1ccc2cc(C(N)C3CCCS3)ccc2n1
InChIInChI=1S/C15H18N2S/c1-10-4-5-11-9-12(6-7-13(11)17-10)15(16)14-3-2-8-18-14/h4-7,9,14-15H,2-3,8,16H2,1H3
InChIKeyFZSNZQZTFWHLHC-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.44
Rot. Bonds2

About (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine

(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine (PubChem CID 81224264) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
PubChem CID81224264
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
SMILESCc1ccc2cc(C(N)C3CCCS3)ccc2n1
InChIInChI=1S/C15H18N2S/c1-10-4-5-11-9-12(6-7-13(11)17-10)15(16)14-3-2-8-18-14/h4-7,9,14-15H,2-3,8,16H2,1H3
InChIKeyFZSNZQZTFWHLHC-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylquinolin-6-yl)-(thian-2-yl)methanol
CID 81220603
cyclobutyl-(2-methylquinolin-6-yl)methanamine
CID 81232186
naphthalen-2-yl(thiolan-2-yl)methanamine
CID 80623183
quinolin-3-yl(thiolan-2-yl)methanamine
CID 80622472
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
CID 81228911
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
[2-cyclobutyl-1-(2-methylquinolin-6-yl)ethyl]hydrazine
CID 103170715
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
thiolan-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 80622365
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
[2-cyclopropyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105327205
2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105378848

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine?
The IUPAC name of (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine (CID 81224264) is (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine.
What is the SMILES notation for (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine?
The canonical SMILES for (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine is Cc1ccc2cc(C(N)C3CCCS3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine?
The InChIKey is FZSNZQZTFWHLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-4-5-11-9-12(6-7-13(11)17-10)15(16)14-3-2-8-18-14/h4-7,9,14-15H,2-3,8,16H2,1H3.
What are the key properties of (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine?
(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine is sourced from PubChem (CID 81224264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).