3-(quinolin-2-ylmethylsulfanyl)propan-1-ol

C13H15NOS — CID 66126376

IUPAC3-(quinolin-2-ylmethylsulfanyl)propan-1-ol
SMILESOCCCSCc1ccc2ccccc2n1
InChIInChI=1S/C13H15NOS/c15-8-3-9-16-10-12-7-6-11-4-1-2-5-13(11)14-12/h1-2,4-7,15H,3,8-10H2
InChIKeyAMFRDYWUOOAPHX-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.85
Rot. Bonds5

About 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol

3-(quinolin-2-ylmethylsulfanyl)propan-1-ol (PubChem CID 66126376) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(quinolin-2-ylmethylsulfanyl)propan-1-ol
PubChem CID66126376
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-(quinolin-2-ylmethylsulfanyl)propan-1-ol
SMILESOCCCSCc1ccc2ccccc2n1
InChIInChI=1S/C13H15NOS/c15-8-3-9-16-10-12-7-6-11-4-1-2-5-13(11)14-12/h1-2,4-7,15H,3,8-10H2
InChIKeyAMFRDYWUOOAPHX-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.85
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

4-(quinolin-2-ylmethylsulfanyl)butan-2-one
CID 20505325
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
9-quinolin-2-ylnonan-1-ol
CID 19898716
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
3-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79238821
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
CID 79232930
3-(1,3-benzothiazol-2-ylmethylsulfanyl)propan-1-ol
CID 104631541
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
CID 89210421
CID 89210421
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
(E)-2-amino-2-(quinolin-2-ylmethylsulfanyl)ethenethiol
CID 143471438

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol?
The IUPAC name of 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol (CID 66126376) is 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol is OCCCSCc1ccc2ccccc2n1.
What is the InChIKey of 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol?
The InChIKey is AMFRDYWUOOAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-8-3-9-16-10-12-7-6-11-4-1-2-5-13(11)14-12/h1-2,4-7,15H,3,8-10H2.
What are the key properties of 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol?
3-(quinolin-2-ylmethylsulfanyl)propan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylmethylsulfanyl)propan-1-ol is sourced from PubChem (CID 66126376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).