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

C15H18N2OS — CID 115661623

IUPAC(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
SMILESCCC1CN(C(=O)c2cc3ccccc3[nH]2)CCS1
InChIInChI=1S/C15H18N2OS/c1-2-12-10-17(7-8-19-12)15(18)14-9-11-5-3-4-6-13(11)16-14/h3-6,9,12,16H,2,7-8,10H2,1H3
InChIKeyTXFKMOXXHXQNAF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.14
Rot. Bonds2

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

(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone (PubChem CID 115661623) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
PubChem CID115661623
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
SMILESCCC1CN(C(=O)c2cc3ccccc3[nH]2)CCS1
InChIInChI=1S/C15H18N2OS/c1-2-12-10-17(7-8-19-12)15(18)14-9-11-5-3-4-6-13(11)16-14/h3-6,9,12,16H,2,7-8,10H2,1H3
InChIKeyTXFKMOXXHXQNAF-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-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
2-ethyl-N-(1H-indol-2-ylmethyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486479
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109486190
1H-indol-2-yl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632581
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[7-(furan-2-yl)-1,4-thiazepan-4-yl]-(1H-indol-2-yl)methanone
CID 90632059

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone (CID 115661623) is (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone is CCC1CN(C(=O)c2cc3ccccc3[nH]2)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone?
The InChIKey is TXFKMOXXHXQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-12-10-17(7-8-19-12)15(18)14-9-11-5-3-4-6-13(11)16-14/h3-6,9,12,16H,2,7-8,10H2,1H3.
What are the key properties of (2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone?
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-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-2-yl)methanone is sourced from PubChem (CID 115661623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).