5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one

C13H14N2O2S — CID 113225087

IUPAC5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCSCC3)ccc2N1
InChIInChI=1S/C13H14N2O2S/c16-12-8-10-7-9(1-2-11(10)14-12)13(17)15-3-5-18-6-4-15/h1-2,7H,3-6,8H2,(H,14,16)
InChIKeyBWVCBWSAEUFKGW-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.37
Rot. Bonds1

About 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one

5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 113225087) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
PubChem CID113225087
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCSCC3)ccc2N1
InChIInChI=1S/C13H14N2O2S/c16-12-8-10-7-9(1-2-11(10)14-12)13(17)15-3-5-18-6-4-15/h1-2,7H,3-6,8H2,(H,14,16)
InChIKeyBWVCBWSAEUFKGW-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809003
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 166380387

Frequently Asked Questions

What is the IUPAC name of 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one (CID 113225087) is 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CCSCC3)ccc2N1.
What is the InChIKey of 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is BWVCBWSAEUFKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-12-8-10-7-9(1-2-11(10)14-12)13(17)15-3-5-18-6-4-15/h1-2,7H,3-6,8H2,(H,14,16).
What are the key properties of 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 262.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 113225087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).