(2-butan-2-ylsulfanylquinolin-3-yl)methanol

C14H17NOS — CID 55240219

IUPAC(2-butan-2-ylsulfanylquinolin-3-yl)methanol
SMILESCCC(C)Sc1nc2ccccc2cc1CO
InChIInChI=1S/C14H17NOS/c1-3-10(2)17-14-12(9-16)8-11-6-4-5-7-13(11)15-14/h4-8,10,16H,3,9H2,1-2H3
InChIKeyUWLPLWBYASAQCY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.62
Rot. Bonds4

About (2-butan-2-ylsulfanylquinolin-3-yl)methanol

(2-butan-2-ylsulfanylquinolin-3-yl)methanol (PubChem CID 55240219) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (2-butan-2-ylsulfanylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-butan-2-ylsulfanylquinolin-3-yl)methanol
PubChem CID55240219
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(2-butan-2-ylsulfanylquinolin-3-yl)methanol
SMILESCCC(C)Sc1nc2ccccc2cc1CO
InChIInChI=1S/C14H17NOS/c1-3-10(2)17-14-12(9-16)8-11-6-4-5-7-13(11)15-14/h4-8,10,16H,3,9H2,1-2H3
InChIKeyUWLPLWBYASAQCY-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylsulfanylquinolin-3-yl)methanol?
The IUPAC name of (2-butan-2-ylsulfanylquinolin-3-yl)methanol (CID 55240219) is (2-butan-2-ylsulfanylquinolin-3-yl)methanol.
What is the SMILES notation for (2-butan-2-ylsulfanylquinolin-3-yl)methanol?
The canonical SMILES for (2-butan-2-ylsulfanylquinolin-3-yl)methanol is CCC(C)Sc1nc2ccccc2cc1CO.
What is the InChIKey of (2-butan-2-ylsulfanylquinolin-3-yl)methanol?
The InChIKey is UWLPLWBYASAQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-10(2)17-14-12(9-16)8-11-6-4-5-7-13(11)15-14/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of (2-butan-2-ylsulfanylquinolin-3-yl)methanol?
(2-butan-2-ylsulfanylquinolin-3-yl)methanol has a molecular weight of 247.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylsulfanylquinolin-3-yl)methanol is sourced from PubChem (CID 55240219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).