3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline

C13H19NO2S — CID 63378163

IUPAC3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-11(3)8-12-6-4-5-7-13(12)14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUWPXEJYHUNFIEN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds2

About 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline

3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 63378163) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID63378163
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-11(3)8-12-6-4-5-7-13(12)14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUWPXEJYHUNFIEN-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline (CID 63378163) is 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is UWPXEJYHUNFIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-11(3)8-12-6-4-5-7-13(12)14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 253.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63378163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).