5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one

C14H22N2O3S — CID 106727364

IUPAC5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)S(=O)(=O)CCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C14H22N2O3S/c1-10(2)20(18,19)9-8-16-13-5-3-4-12(15)11(13)6-7-14(16)17/h6-7,10,12H,3-5,8-9,15H2,1-2H3
InChIKeyOWRIYAPBRORUOS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.01
Rot. Bonds4

About 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 106727364) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID106727364
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)S(=O)(=O)CCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C14H22N2O3S/c1-10(2)20(18,19)9-8-16-13-5-3-4-12(15)11(13)6-7-14(16)17/h6-7,10,12H,3-5,8-9,15H2,1-2H3
InChIKeyOWRIYAPBRORUOS-UHFFFAOYSA-N
XLogP1.01
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 106727364) is 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)S(=O)(=O)CCn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OWRIYAPBRORUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)20(18,19)9-8-16-13-5-3-4-12(15)11(13)6-7-14(16)17/h6-7,10,12H,3-5,8-9,15H2,1-2H3.
What are the key properties of 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 298.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 106727364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).