6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride

C10H14ClNO2S — CID 119057095

IUPAC6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKeyMEHOLLNKUOYWKI-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.87
Rot. Bonds1

About 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride

6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 119057095) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID119057095
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKeyMEHOLLNKUOYWKI-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 119057095) is 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride is CS(=O)(=O)c1ccc2c(c1)CCCN2.Cl.
What is the InChIKey of 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is MEHOLLNKUOYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.ClH/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;/h4-5,7,11H,2-3,6H2,1H3;1H.
What are the key properties of 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 119057095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).