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

C14H19NOS2 — CID 79972633

IUPAC1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(C1CSCCS1)C1CCCc2cccnc21
InChIInChI=1S/C14H19NOS2/c16-14(12-9-17-7-8-18-12)11-5-1-3-10-4-2-6-15-13(10)11/h2,4,6,11-12,14,16H,1,3,5,7-9H2
InChIKeyCUOBQMFLKUNCDM-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.71
Rot. Bonds2

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

1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79972633) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79972633
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC Name1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(C1CSCCS1)C1CCCc2cccnc21
InChIInChI=1S/C14H19NOS2/c16-14(12-9-17-7-8-18-12)11-5-1-3-10-4-2-6-15-13(10)11/h2,4,6,11-12,14,16H,1,3,5,7-9H2
InChIKeyCUOBQMFLKUNCDM-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79972508
1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79962484
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
CID 105164783
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
CID 79966609
oxolan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745835
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
CID 80621797
(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111320
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79972633) is 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol is OC(C1CSCCS1)C1CCCc2cccnc21.
What is the InChIKey of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is CUOBQMFLKUNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c16-14(12-9-17-7-8-18-12)11-5-1-3-10-4-2-6-15-13(10)11/h2,4,6,11-12,14,16H,1,3,5,7-9H2.
What are the key properties of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 281.45 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79972633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).