4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol

C14H21NOS — CID 103089942

IUPAC4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
SMILESCSCCCC(O)C1CCCc2cccnc21
InChIInChI=1S/C14H21NOS/c1-17-10-4-8-13(16)12-7-2-5-11-6-3-9-15-14(11)12/h3,6,9,12-13,16H,2,4-5,7-8,10H2,1H3
InChIKeyZFJSBUIDKALBCA-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.01
Rot. Bonds5

About 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol

4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol (PubChem CID 103089942) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
PubChem CID103089942
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
SMILESCSCCCC(O)C1CCCc2cccnc21
InChIInChI=1S/C14H21NOS/c1-17-10-4-8-13(16)12-7-2-5-11-6-3-9-15-14(11)12/h3,6,9,12-13,16H,2,4-5,7-8,10H2,1H3
InChIKeyZFJSBUIDKALBCA-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79746208
3-(diethylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79745841
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol
CID 105112552
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
CID 115818295
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-amine
CID 105007437
(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79746219

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The IUPAC name of 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol (CID 103089942) is 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol.
What is the SMILES notation for 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The canonical SMILES for 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol is CSCCCC(O)C1CCCc2cccnc21.
What is the InChIKey of 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The InChIKey is ZFJSBUIDKALBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-17-10-4-8-13(16)12-7-2-5-11-6-3-9-15-14(11)12/h3,6,9,12-13,16H,2,4-5,7-8,10H2,1H3.
What are the key properties of 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol is sourced from PubChem (CID 103089942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).