2-methyl-N-(thian-4-yl)quinolin-8-amine

C15H18N2S — CID 62953597

IUPAC2-methyl-N-(thian-4-yl)quinolin-8-amine
SMILESCc1ccc2cccc(NC3CCSCC3)c2n1
InChIInChI=1S/C15H18N2S/c1-11-5-6-12-3-2-4-14(15(12)16-11)17-13-7-9-18-10-8-13/h2-6,13,17H,7-10H2,1H3
InChIKeyWTKBCIWPMDOYRF-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.85
Rot. Bonds2

About 2-methyl-N-(thian-4-yl)quinolin-8-amine

2-methyl-N-(thian-4-yl)quinolin-8-amine (PubChem CID 62953597) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methyl-N-(thian-4-yl)quinolin-8-amine.

Molecular Properties

Compound Name2-methyl-N-(thian-4-yl)quinolin-8-amine
PubChem CID62953597
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-methyl-N-(thian-4-yl)quinolin-8-amine
SMILESCc1ccc2cccc(NC3CCSCC3)c2n1
InChIInChI=1S/C15H18N2S/c1-11-5-6-12-3-2-4-14(15(12)16-11)17-13-7-9-18-10-8-13/h2-6,13,17H,7-10H2,1H3
InChIKeyWTKBCIWPMDOYRF-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-4-yl)quinolin-8-amine?
The IUPAC name of 2-methyl-N-(thian-4-yl)quinolin-8-amine (CID 62953597) is 2-methyl-N-(thian-4-yl)quinolin-8-amine.
What is the SMILES notation for 2-methyl-N-(thian-4-yl)quinolin-8-amine?
The canonical SMILES for 2-methyl-N-(thian-4-yl)quinolin-8-amine is Cc1ccc2cccc(NC3CCSCC3)c2n1.
What is the InChIKey of 2-methyl-N-(thian-4-yl)quinolin-8-amine?
The InChIKey is WTKBCIWPMDOYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-5-6-12-3-2-4-14(15(12)16-11)17-13-7-9-18-10-8-13/h2-6,13,17H,7-10H2,1H3.
What are the key properties of 2-methyl-N-(thian-4-yl)quinolin-8-amine?
2-methyl-N-(thian-4-yl)quinolin-8-amine has a molecular weight of 258.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-4-yl)quinolin-8-amine is sourced from PubChem (CID 62953597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).