1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C14H16N2O3S — CID 61200335

IUPAC1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)N1CCSCC1
InChIInChI=1S/C14H16N2O3S/c17-13(18)11-1-2-12-10(9-11)3-4-16(12)14(19)15-5-7-20-8-6-15/h1-2,9H,3-8H2,(H,17,18)
InChIKeyFKFGYCXHJRFJKK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.92
Rot. Bonds1

About 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61200335) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID61200335
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)N1CCSCC1
InChIInChI=1S/C14H16N2O3S/c17-13(18)11-1-2-12-10(9-11)3-4-16(12)14(19)15-5-7-20-8-6-15/h1-2,9H,3-8H2,(H,17,18)
InChIKeyFKFGYCXHJRFJKK-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61209571
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656
1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61170398
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748

Frequently Asked Questions

What is the IUPAC name of 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 61200335) is 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)N1CCSCC1.
What is the InChIKey of 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is FKFGYCXHJRFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-13(18)11-1-2-12-10(9-11)3-4-16(12)14(19)15-5-7-20-8-6-15/h1-2,9H,3-8H2,(H,17,18).
What are the key properties of 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61200335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).