6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one

C14H16N2O2S — CID 102712777

IUPAC6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCS1
InChIInChI=1S/C14H16N2O2S/c1-9-8-16(4-5-19-9)14(18)11-3-2-10-7-13(17)15-12(10)6-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyPRMFWVSBJNVGLP-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.76
Rot. Bonds1

About 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one

6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 102712777) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
PubChem CID102712777
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCS1
InChIInChI=1S/C14H16N2O2S/c1-9-8-16(4-5-19-9)14(18)11-3-2-10-7-13(17)15-12(10)6-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyPRMFWVSBJNVGLP-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-dimethylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712422
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
6-(4-amino-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711641
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
N-[1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 102712694
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
6-(4-ethyl-4-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712356
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one
CID 102737404

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one (CID 102712777) is 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one is CC1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCS1.
What is the InChIKey of 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is PRMFWVSBJNVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-8-16(4-5-19-9)14(18)11-3-2-10-7-13(17)15-12(10)6-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one?
6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 276.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102712777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).