(1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate

C18H17NO4S2 — CID 55424809

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate
SMILESCC(OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCOCC1
InChIInChI=1S/C18H17NO4S2/c1-11(17(20)19-6-8-22-9-7-19)23-18(21)15-10-14-16(25-15)12-4-2-3-5-13(12)24-14/h2-5,10-11H,6-9H2,1H3
InChIKeyWJBWKDABTFGDSQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.52
Rot. Bonds3

About (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate (PubChem CID 55424809) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate
PubChem CID55424809
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate
SMILESCC(OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCOCC1
InChIInChI=1S/C18H17NO4S2/c1-11(17(20)19-6-8-22-9-7-19)23-18(21)15-10-14-16(25-15)12-4-2-3-5-13(12)24-14/h2-5,10-11H,6-9H2,1H3
InChIKeyWJBWKDABTFGDSQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate with MolForge

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate
CID 55424773
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide
CID 112797878
ethyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 56691109
[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 119562691
(4-ethylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 1082719
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395258
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 16513169
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502494
(1-morpholin-4-yl-1-oxopropan-2-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533571
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 40954545
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(methylsulfinylmethyl)benzoate
CID 55456096
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 42903540

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate (CID 55424809) is (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate is CC(OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate?
The InChIKey is WJBWKDABTFGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c1-11(17(20)19-6-8-22-9-7-19)23-18(21)15-10-14-16(25-15)12-4-2-3-5-13(12)24-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) thieno[3,2-b][1]benzothiole-2-carboxylate is sourced from PubChem (CID 55424809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).