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

C16H21NO2S — CID 71923441

IUPAC(2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2(O)Cc3ccccc3C2)CCS1
InChIInChI=1S/C16H21NO2S/c1-15(2)11-17(7-8-20-15)14(18)16(19)9-12-5-3-4-6-13(12)10-16/h3-6,19H,7-11H2,1-2H3
InChIKeyUPCCWHUUQWVFLE-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.87
Rot. Bonds1

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

(2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone (PubChem CID 71923441) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
PubChem CID71923441
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2(O)Cc3ccccc3C2)CCS1
InChIInChI=1S/C16H21NO2S/c1-15(2)11-17(7-8-20-15)14(18)16(19)9-12-5-3-4-6-13(12)10-16/h3-6,19H,7-11H2,1-2H3
InChIKeyUPCCWHUUQWVFLE-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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Related Compounds

(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71856932
(2-Hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
CID 71874541
(2-Hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 71925445
(2-Hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 71925528
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137864005
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 139005892
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 139008581
2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
CID 71866641
(2R)-2-benzyl-2-hydroxy-3-oxo-3-thiomorpholin-4-ylpropanamide
CID 69749353
N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide
CID 14913081
(2-Hydroxy-1,3-dihydroinden-2-yl)-piperidin-1-ylmethanone
CID 14913082
(2,6-Dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
CID 71866663

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone (CID 71923441) is (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone is CC1(C)CN(C(=O)C2(O)Cc3ccccc3C2)CCS1.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
The InChIKey is UPCCWHUUQWVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-15(2)11-17(7-8-20-15)14(18)16(19)9-12-5-3-4-6-13(12)10-16/h3-6,19H,7-11H2,1-2H3.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone?
(2,2-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 (2,2-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone is sourced from PubChem (CID 71923441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).