(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone

C15H18N2OS — CID 115661617

IUPAC(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
SMILESCCC1CN(C(=O)c2cccc3cc[nH]c23)CCS1
InChIInChI=1S/C15H18N2OS/c1-2-12-10-17(8-9-19-12)15(18)13-5-3-4-11-6-7-16-14(11)13/h3-7,12,16H,2,8-10H2,1H3
InChIKeyUHGLRYRNAWHIFN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.14
Rot. Bonds2

About (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone

(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone (PubChem CID 115661617) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
PubChem CID115661617
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
SMILESCCC1CN(C(=O)c2cccc3cc[nH]c23)CCS1
InChIInChI=1S/C15H18N2OS/c1-2-12-10-17(8-9-19-12)15(18)13-5-3-4-11-6-7-16-14(11)13/h3-7,12,16H,2,8-10H2,1H3
InChIKeyUHGLRYRNAWHIFN-UHFFFAOYSA-N
XLogP3.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 115661623
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 106687317
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone (CID 115661617) is (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone is CCC1CN(C(=O)c2cccc3cc[nH]c23)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone?
The InChIKey is UHGLRYRNAWHIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-12-10-17(8-9-19-12)15(18)13-5-3-4-11-6-7-16-14(11)13/h3-7,12,16H,2,8-10H2,1H3.
What are the key properties of (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone?
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone is sourced from PubChem (CID 115661617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).