2-(methylsulfonylmethyl)quinoline

C11H11NO2S — CID 14901365

IUPAC2-(methylsulfonylmethyl)quinoline
SMILESCS(=O)(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C11H11NO2S/c1-15(13,14)8-10-7-6-9-4-2-3-5-11(9)12-10/h2-7H,8H2,1H3
InChIKeyIWDMEZSLXNHCOI-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.78
Rot. Bonds2

About 2-(methylsulfonylmethyl)quinoline

2-(methylsulfonylmethyl)quinoline (PubChem CID 14901365) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)quinoline.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)quinoline
PubChem CID14901365
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-(methylsulfonylmethyl)quinoline
SMILESCS(=O)(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C11H11NO2S/c1-15(13,14)8-10-7-6-9-4-2-3-5-11(9)12-10/h2-7H,8H2,1H3
InChIKeyIWDMEZSLXNHCOI-UHFFFAOYSA-N
XLogP1.78
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-2-ylmethanesulfonamide
CID 43164320
1-(quinolin-2-ylmethylsulfonyl)propan-2-amine
CID 81189101
2-(methylsulfonylmethyl)quinoxaline
CID 57254192
CID 89210421
CID 89210421
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
2-[[methyl(methylsulfanylsulfonyl)amino]methyl]quinoline
CID 163659230
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
CID 71938888
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
2-benzylsulfonylquinoline
CID 134095995

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)quinoline?
The IUPAC name of 2-(methylsulfonylmethyl)quinoline (CID 14901365) is 2-(methylsulfonylmethyl)quinoline.
What is the SMILES notation for 2-(methylsulfonylmethyl)quinoline?
The canonical SMILES for 2-(methylsulfonylmethyl)quinoline is CS(=O)(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-(methylsulfonylmethyl)quinoline?
The InChIKey is IWDMEZSLXNHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-15(13,14)8-10-7-6-9-4-2-3-5-11(9)12-10/h2-7H,8H2,1H3.
What are the key properties of 2-(methylsulfonylmethyl)quinoline?
2-(methylsulfonylmethyl)quinoline has a molecular weight of 221.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)quinoline is sourced from PubChem (CID 14901365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).