2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol

C14H17NOS — CID 66105584

IUPAC2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol
SMILESCC(CO)CSCc1ccc2ncccc2c1
InChIInChI=1S/C14H17NOS/c1-11(8-16)9-17-10-12-4-5-14-13(7-12)3-2-6-15-14/h2-7,11,16H,8-10H2,1H3
InChIKeyBPQHIUKHKOEQMX-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.10
Rot. Bonds5

About 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol

2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol (PubChem CID 66105584) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol
PubChem CID66105584
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol
SMILESCC(CO)CSCc1ccc2ncccc2c1
InChIInChI=1S/C14H17NOS/c1-11(8-16)9-17-10-12-4-5-14-13(7-12)3-2-6-15-14/h2-7,11,16H,8-10H2,1H3
InChIKeyBPQHIUKHKOEQMX-UHFFFAOYSA-N
XLogP3.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-azaniumyl-3-(quinolin-6-ylmethylsulfanyl)propanoate
CID 28776480
6-(2-methoxyethylsulfanylmethyl)quinoline
CID 136532204
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63966499
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-[1-(quinolin-6-ylmethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65441723
6-(4-methylpent-2-ynyl)quinoline
CID 144911863
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 66104771
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol (CID 66105584) is 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol is CC(CO)CSCc1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol?
The InChIKey is BPQHIUKHKOEQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(8-16)9-17-10-12-4-5-14-13(7-12)3-2-6-15-14/h2-7,11,16H,8-10H2,1H3.
What are the key properties of 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol?
2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol is sourced from PubChem (CID 66105584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).