1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone

C15H18N2OS — CID 659447

IUPAC1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCSCC1
InChIInChI=1S/C15H18N2OS/c1-11-15(12-4-2-3-5-13(12)16-11)14(18)10-17-6-8-19-9-7-17/h2-5,16H,6-10H2,1H3
InChIKeyCRSUXGMDTIWRLF-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone

1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone (PubChem CID 659447) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
PubChem CID659447
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCSCC1
InChIInChI=1S/C15H18N2OS/c1-11-15(12-4-2-3-5-13(12)16-11)14(18)10-17-6-8-19-9-7-17/h2-5,16H,6-10H2,1H3
InChIKeyCRSUXGMDTIWRLF-UHFFFAOYSA-N
XLogP2.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
2-methyl-1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 18086237
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46563110
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 3913869
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 18125090
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 95474523
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 55626329
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone (CID 659447) is 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCSCC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The InChIKey is CRSUXGMDTIWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-15(12-4-2-3-5-13(12)16-11)14(18)10-17-6-8-19-9-7-17/h2-5,16H,6-10H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone has a molecular weight of 274.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 659447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).