(2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone

C14H17NO2S — CID 71874541

IUPAC(2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(N1CCSCC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C14H17NO2S/c16-13(15-5-7-18-8-6-15)14(17)9-11-3-1-2-4-12(11)10-14/h1-4,17H,5-10H2
InChIKeyGTFSUQQXKOLYLY-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.09
Rot. Bonds1

About (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone

(2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone (PubChem CID 71874541) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
PubChem CID71874541
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(N1CCSCC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C14H17NO2S/c16-13(15-5-7-18-8-6-15)14(17)9-11-3-1-2-4-12(11)10-14/h1-4,17H,5-10H2
InChIKeyGTFSUQQXKOLYLY-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-(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
(2-Hydroxy-1,3-dihydroinden-2-yl)-piperidin-1-ylmethanone
CID 14913082
2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one
CID 50924682
(2,6-Dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
CID 71866663
(2,2-Dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
CID 71923441

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone (CID 71874541) is (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone is O=C(N1CCSCC1)C1(O)Cc2ccccc2C1.
What is the InChIKey of (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is GTFSUQQXKOLYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-13(15-5-7-18-8-6-15)14(17)9-11-3-1-2-4-12(11)10-14/h1-4,17H,5-10H2.
What are the key properties of (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone?
(2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 263.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 71874541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).