(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C15H21NOS2 — CID 115386297

IUPAC(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCC1SCCSC1C(O)C1CCCc2cccnc21
InChIInChI=1S/C15H21NOS2/c1-10-15(19-9-8-18-10)14(17)12-6-2-4-11-5-3-7-16-13(11)12/h3,5,7,10,12,14-15,17H,2,4,6,8-9H2,1H3
InChIKeyPZCOOFSPWCFCTE-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.10
Rot. Bonds2

About (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 115386297) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID115386297
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCC1SCCSC1C(O)C1CCCc2cccnc21
InChIInChI=1S/C15H21NOS2/c1-10-15(19-9-8-18-10)14(17)12-6-2-4-11-5-3-7-16-13(11)12/h3,5,7,10,12,14-15,17H,2,4,6,8-9H2,1H3
InChIKeyPZCOOFSPWCFCTE-UHFFFAOYSA-N
XLogP3.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 115386297) is (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is CC1SCCSC1C(O)C1CCCc2cccnc21.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is PZCOOFSPWCFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-10-15(19-9-8-18-10)14(17)12-6-2-4-11-5-3-7-16-13(11)12/h3,5,7,10,12,14-15,17H,2,4,6,8-9H2,1H3.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 295.47 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 115386297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).