1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone

C18H18N2O2S — CID 124592372

IUPAC1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc3cc[nH]c23)C[C@@H](c2ccsc2)O1
InChIInChI=1S/C18H18N2O2S/c1-12-9-20(10-16(22-12)14-6-8-23-11-14)18(21)15-4-2-3-13-5-7-19-17(13)15/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16-/m0/s1
InChIKeyUEPFKSWOHJUZDP-LRDDRELGSA-N
MW326.42 g/mol
LogP3.83
Rot. Bonds2

About 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone

1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone (PubChem CID 124592372) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone
PubChem CID124592372
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc3cc[nH]c23)C[C@@H](c2ccsc2)O1
InChIInChI=1S/C18H18N2O2S/c1-12-9-20(10-16(22-12)14-6-8-23-11-14)18(21)15-4-2-3-13-5-7-19-17(13)15/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16-/m0/s1
InChIKeyUEPFKSWOHJUZDP-LRDDRELGSA-N
XLogP3.83
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone with MolForge

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Related Compounds

1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124694505
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95215460
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 125135325

Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone?
The IUPAC name of 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone (CID 124592372) is 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone.
What is the SMILES notation for 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone?
The canonical SMILES for 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cccc3cc[nH]c23)C[C@@H](c2ccsc2)O1.
What is the InChIKey of 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone?
The InChIKey is UEPFKSWOHJUZDP-LRDDRELGSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-9-20(10-16(22-12)14-6-8-23-11-14)18(21)15-4-2-3-13-5-7-19-17(13)15/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16-/m0/s1.
What are the key properties of 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone?
1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone has a molecular weight of 326.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 124592372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).