(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone

C13H15NO2S2 — CID 2820168

IUPAC(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone
SMILESCc1csc2sc(C(=O)N3CCOCC3)c(C)c12
InChIInChI=1S/C13H15NO2S2/c1-8-7-17-13-10(8)9(2)11(18-13)12(15)14-3-5-16-6-4-14/h7H,3-6H2,1-2H3
InChIKeyMOGNSFHJDGIQDO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.05
Rot. Bonds1

About (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone

(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone (PubChem CID 2820168) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone
PubChem CID2820168
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone
SMILESCc1csc2sc(C(=O)N3CCOCC3)c(C)c12
InChIInChI=1S/C13H15NO2S2/c1-8-7-17-13-10(8)9(2)11(18-13)12(15)14-3-5-16-6-4-14/h7H,3-6H2,1-2H3
InChIKeyMOGNSFHJDGIQDO-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one
CID 169026571
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470352
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 75510015
[4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 3044319
5-methyl-6-(4-methylpiperidine-1-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 22330657
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 22330648
[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 42327099
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone (CID 2820168) is (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone is Cc1csc2sc(C(=O)N3CCOCC3)c(C)c12.
What is the InChIKey of (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone?
The InChIKey is MOGNSFHJDGIQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-8-7-17-13-10(8)9(2)11(18-13)12(15)14-3-5-16-6-4-14/h7H,3-6H2,1-2H3.
What are the key properties of (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone?
(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone has a molecular weight of 281.40 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2820168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).