6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline

C10H12INO2S — CID 19785606

IUPAC6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2cc(I)ccc21
InChIInChI=1S/C10H12INO2S/c1-15(13,14)12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKeyBGPYJGZSERBYMB-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.00
Rot. Bonds1

About 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline

6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 19785606) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID19785606
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC Name6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2cc(I)ccc21
InChIInChI=1S/C10H12INO2S/c1-15(13,14)12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKeyBGPYJGZSERBYMB-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 82341251
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623287
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 120656165
(3,5-dimethylpiperidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 43016800
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108

Frequently Asked Questions

What is the IUPAC name of 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 19785606) is 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline is CS(=O)(=O)N1CCCc2cc(I)ccc21.
What is the InChIKey of 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is BGPYJGZSERBYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c1-15(13,14)12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 337.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 19785606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).