(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone

C16H21NO2S — CID 71866663

IUPAC(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
SMILESCC1CN(C(=O)C2(O)Cc3ccccc3C2)CC(C)S1
InChIInChI=1S/C16H21NO2S/c1-11-9-17(10-12(2)20-11)15(18)16(19)7-13-5-3-4-6-14(13)8-16/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyDIFFBXLFGTZRNT-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.87
Rot. Bonds1

About (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone

(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone (PubChem CID 71866663) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
PubChem CID71866663
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
SMILESCC1CN(C(=O)C2(O)Cc3ccccc3C2)CC(C)S1
InChIInChI=1S/C16H21NO2S/c1-11-9-17(10-12(2)20-11)15(18)16(19)7-13-5-3-4-6-14(13)8-16/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyDIFFBXLFGTZRNT-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
The IUPAC name of (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone (CID 71866663) is (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
The canonical SMILES for (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone is CC1CN(C(=O)C2(O)Cc3ccccc3C2)CC(C)S1.
What is the InChIKey of (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
The InChIKey is DIFFBXLFGTZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11-9-17(10-12(2)20-11)15(18)16(19)7-13-5-3-4-6-14(13)8-16/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone has a molecular weight of 291.42 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone is sourced from PubChem (CID 71866663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).