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

C10H13NO2S — CID 669103

IUPAC1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C10H13NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyZOPZYWPRKRGGTC-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.40
Rot. Bonds1

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

1-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 669103) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID669103
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C10H13NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyZOPZYWPRKRGGTC-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
1-Ethyl-1,2,3,4-tetrahydroquinoline
CID 117428
1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 225584
3-(2,2-dioxo-1-phenyl-3,4-dihydro-2lambda6,1-benzothiazin-3-yl)-N-methylpropan-1-amine
CID 25109015
3-(2,2-dioxo-1-phenyl-3,4-dihydro-2lambda6,1-benzothiazin-3-yl)-N-methylpropan-1-amine;hydrochloride
CID 52949040
1-Tosyl-1,2,3,4-tetrahydroquinoline
CID 726531
6-Fluoro-1-[(4-fluorophenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933162
6-methyl-6H-dibenzo[c,e][1,2]thiazine 5,5-dioxide
CID 640044
1,2,3,4-Tetrahydro-1-methylquinoline
CID 68109
(2R)-1-methyl-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 11458618
(2S)-1-Methyl-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606170

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 669103) is 1-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methylsulfonyl-3,4-dihydro-2H-quinoline is CS(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is ZOPZYWPRKRGGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of 1-methylsulfonyl-3,4-dihydro-2H-quinoline?
1-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 211.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 669103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).