(4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone

C16H16N2O2S — CID 2766139

IUPAC(4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone
SMILESCn1c2ccccc2c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C16H16N2O2S/c1-17-13-5-3-2-4-11(13)12-10-14(21-16(12)17)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3
InChIKeyOAKAOPJHCGHCPY-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.87
Rot. Bonds1

About (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone

(4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone (PubChem CID 2766139) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone
PubChem CID2766139
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone
SMILESCn1c2ccccc2c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C16H16N2O2S/c1-17-13-5-3-2-4-11(13)12-10-14(21-16(12)17)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3
InChIKeyOAKAOPJHCGHCPY-UHFFFAOYSA-N
XLogP2.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
(2-Methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
CID 53357396
[2-(5-Methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
CID 898403
[3-[4-Morpholinyl(sulfanylidene)methyl]-1-indolyl]-thiophen-2-ylmethanone
CID 2294458
8-methyl-N-propyl-8H-thieno[2,3-b]indole-2-carboxamide
CID 2766133
N-(2-methoxyethyl)-8-methyl-8H-thieno[2,3-b]indole-2-carboxamide
CID 2766134
N-[3-(dimethylamino)propyl]-8-methyl-8H-thieno[2,3-b]indole-2-carboxamide
CID 2766138
2-(2-methoxyethyl)-9-methyl-1-oxo-N-(thiophen-2-ylmethyl)-4-pyrido[3,4-b]indolecarboxamide
CID 3243483
Benzo[b]thiophen-3-yl-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone
CID 13645261
ethyl 1-{[5-(1H-indol-1-yl)-2-thienyl]carbonyl}-4-piperidinecarboxylate
CID 16025760
8-Methyl-8H-thieno(2,3-b)indole-2-carboxylic acid 2-acetylhydrazide
CID 1474928
[3-Methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 663836

Frequently Asked Questions

What is the IUPAC name of (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone (CID 2766139) is (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone is Cn1c2ccccc2c2cc(C(=O)N3CCOCC3)sc21.
What is the InChIKey of (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is OAKAOPJHCGHCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-17-13-5-3-2-4-11(13)12-10-14(21-16(12)17)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone?
(4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 300.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthieno[2,3-b]indol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2766139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).