5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C14H20N2OS — CID 57059875

IUPAC5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCCc2[nH]c(=O)cc(C3CSCCN3)c21
InChIInChI=1S/C14H20N2OS/c1-9-3-2-4-11-14(9)10(7-13(17)16-11)12-8-18-6-5-15-12/h7,9,12,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyPDROYJSWLYYNEC-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.19
Rot. Bonds1

About 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 57059875) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID57059875
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCCc2[nH]c(=O)cc(C3CSCCN3)c21
InChIInChI=1S/C14H20N2OS/c1-9-3-2-4-11-14(9)10(7-13(17)16-11)12-8-18-6-5-15-12/h7,9,12,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyPDROYJSWLYYNEC-UHFFFAOYSA-N
XLogP2.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-methyl-6,7,8,9-tetrahydro-5H-carbazol-2-ol
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5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one
CID 82397158
3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine
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CID 82290766
3-(1,2-dihydropyridin-6-yl)thiomorpholine
CID 173113888
8-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24962995
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 57059875) is 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1CCCc2[nH]c(=O)cc(C3CSCCN3)c21.
What is the InChIKey of 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PDROYJSWLYYNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-3-2-4-11-14(9)10(7-13(17)16-11)12-8-18-6-5-15-12/h7,9,12,15H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-thiomorpholin-3-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 57059875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).