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

C13H20N2OS — CID 113349035

IUPAC5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCSC(C)CNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2OS/c1-9(17-2)8-14-11-4-3-5-12-10(11)6-7-13(16)15-12/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyJBJQREBGAUQPMQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.09
Rot. Bonds4

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

5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 113349035) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID113349035
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCSC(C)CNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2OS/c1-9(17-2)8-14-11-4-3-5-12-10(11)6-7-13(16)15-12/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyJBJQREBGAUQPMQ-UHFFFAOYSA-N
XLogP2.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 113349035) is 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CSC(C)CNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is JBJQREBGAUQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(17-2)8-14-11-4-3-5-12-10(11)6-7-13(16)15-12/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 252.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 113349035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).