5-methylsulfonyl-1,2,3,4-tetrahydroquinoline

C10H13NO2S — CID 12905212

IUPAC5-methylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11H,3-4,7H2,1H3
InChIKeyVGZQOVHPVJSTCE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.45
Rot. Bonds1

About 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline

5-methylsulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 12905212) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-methylsulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID12905212
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-methylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11H,3-4,7H2,1H3
InChIKeyVGZQOVHPVJSTCE-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline (CID 12905212) is 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline is CS(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is VGZQOVHPVJSTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11H,3-4,7H2,1H3.
What are the key properties of 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline?
5-methylsulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 211.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 12905212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).