5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H20N2O3S — CID 103781006

IUPAC5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCS(=O)(=O)CCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2O3S/c1-2-19(17,18)9-8-14-11-4-3-5-12-10(11)6-7-13(16)15-12/h6-7,11,14H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyGXOQVXZFBMEXGN-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.78
Rot. Bonds5

About 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103781006) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103781006
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCS(=O)(=O)CCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2O3S/c1-2-19(17,18)9-8-14-11-4-3-5-12-10(11)6-7-13(16)15-12/h6-7,11,14H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyGXOQVXZFBMEXGN-UHFFFAOYSA-N
XLogP0.78
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103781006) is 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCS(=O)(=O)CCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is GXOQVXZFBMEXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-19(17,18)9-8-14-11-4-3-5-12-10(11)6-7-13(16)15-12/h6-7,11,14H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 284.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103781006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).