(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride

C11H14ClNO3S — CID 117441436

IUPAC(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride
SMILESCN1CCCc2c1ccc(CS(=O)(=O)Cl)c2O
InChIInChI=1S/C11H14ClNO3S/c1-13-6-2-3-9-10(13)5-4-8(11(9)14)7-17(12,15)16/h4-5,14H,2-3,6-7H2,1H3
InChIKeySXSSGESTHROUEC-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.84
Rot. Bonds2

About (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride

(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride (PubChem CID 117441436) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride
PubChem CID117441436
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride
SMILESCN1CCCc2c1ccc(CS(=O)(=O)Cl)c2O
InChIInChI=1S/C11H14ClNO3S/c1-13-6-2-3-9-10(13)5-4-8(11(9)14)7-17(12,15)16/h4-5,14H,2-3,6-7H2,1H3
InChIKeySXSSGESTHROUEC-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminooxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 117297783
5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 136968295
3-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butanal
CID 117338481
8-ethyl-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 145312630
6-[1-(aminomethyl)cyclopentyl]-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 117405591
6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 84699522
1-methyl-6-piperidin-2-yl-3,4-dihydro-2H-quinolin-5-ol
CID 117368730
N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine
CID 117318550
1,5-dimethyl-3,4-dihydro-2H-quinoline;ethane
CID 144655769
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727
4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
CID 117374655

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride?
The IUPAC name of (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride (CID 117441436) is (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride?
The canonical SMILES for (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride is CN1CCCc2c1ccc(CS(=O)(=O)Cl)c2O.
What is the InChIKey of (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride?
The InChIKey is SXSSGESTHROUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-13-6-2-3-9-10(13)5-4-8(11(9)14)7-17(12,15)16/h4-5,14H,2-3,6-7H2,1H3.
What are the key properties of (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride?
(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride has a molecular weight of 275.76 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride is sourced from PubChem (CID 117441436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).