4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol

C14H17NO3S — CID 55162729

IUPAC4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccc2ccccc2n1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)10-4-7-14(16)13-9-8-11-5-2-3-6-12(11)15-13/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3
InChIKeyUSFMOZRYBDYBSP-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.09
Rot. Bonds5

About 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol

4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol (PubChem CID 55162729) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol
PubChem CID55162729
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccc2ccccc2n1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)10-4-7-14(16)13-9-8-11-5-2-3-6-12(11)15-13/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3
InChIKeyUSFMOZRYBDYBSP-UHFFFAOYSA-N
XLogP2.09
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
CID 63222521
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane
CID 159416037
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
3-methylsulfonyl-1-quinolin-2-ylpropan-1-one
CID 63222455
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
CID 105082611
3-amino-2,2-dimethyl-1-quinolin-2-ylpropan-1-ol
CID 79125016
amino(quinolin-2-yl)methanol
CID 154237779
2-(methylsulfonylmethyl)quinoline
CID 14901365
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol (CID 55162729) is 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol is CS(=O)(=O)CCCC(O)c1ccc2ccccc2n1.
What is the InChIKey of 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol?
The InChIKey is USFMOZRYBDYBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19(17,18)10-4-7-14(16)13-9-8-11-5-2-3-6-12(11)15-13/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3.
What are the key properties of 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol?
4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol has a molecular weight of 279.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol is sourced from PubChem (CID 55162729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).