(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol

C17H19NO2S — CID 124882449

IUPAC(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@@H]1N1CCO[C@@H](c2cccs2)C1
InChIInChI=1S/C17H19NO2S/c19-17-13-5-2-1-4-12(13)10-14(17)18-7-8-20-15(11-18)16-6-3-9-21-16/h1-6,9,14-15,17,19H,7-8,10-11H2/t14-,15+,17+/m0/s1
InChIKeyVNKXAHRQWAOWOL-ZMSDIMECSA-N
MW301.41 g/mol
LogP2.78
Rot. Bonds2

About (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol

(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 124882449) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol
PubChem CID124882449
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@@H]1N1CCO[C@@H](c2cccs2)C1
InChIInChI=1S/C17H19NO2S/c19-17-13-5-2-1-4-12(13)10-14(17)18-7-8-20-15(11-18)16-6-3-9-21-16/h1-6,9,14-15,17,19H,7-8,10-11H2/t14-,15+,17+/m0/s1
InChIKeyVNKXAHRQWAOWOL-ZMSDIMECSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
2-(3,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63636093
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 167940643
2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63634001
4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363741
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
4-[(2-thiophen-2-ylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024352
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 71969624

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol (CID 124882449) is (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol is O[C@@H]1c2ccccc2C[C@@H]1N1CCO[C@@H](c2cccs2)C1.
What is the InChIKey of (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VNKXAHRQWAOWOL-ZMSDIMECSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17-13-5-2-1-4-12(13)10-14(17)18-7-8-20-15(11-18)16-6-3-9-21-16/h1-6,9,14-15,17,19H,7-8,10-11H2/t14-,15+,17+/m0/s1.
What are the key properties of (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol?
(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 301.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 124882449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).