2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate

C17H21NO3S2 — CID 123418284

IUPAC2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
SMILESCc1cc2sc(C3(C(=O)OCCN4CCOCC4)CC3)cc2s1
InChIInChI=1S/C17H21NO3S2/c1-12-10-13-14(22-12)11-15(23-13)17(2-3-17)16(19)21-9-6-18-4-7-20-8-5-18/h10-11H,2-9H2,1H3
InChIKeyQLCHOBDYSNKWSG-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.18
Rot. Bonds5

About 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate

2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate (PubChem CID 123418284) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
PubChem CID123418284
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
SMILESCc1cc2sc(C3(C(=O)OCCN4CCOCC4)CC3)cc2s1
InChIInChI=1S/C17H21NO3S2/c1-12-10-13-14(22-12)11-15(23-13)17(2-3-17)16(19)21-9-6-18-4-7-20-8-5-18/h10-11H,2-9H2,1H3
InChIKeyQLCHOBDYSNKWSG-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

2-morpholin-4-ylethyl 4-methylpiperidine-4-carboxylate;hydrochloride
CID 118522513
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate
CID 162678587
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 162508735
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate
CID 71168964

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate (CID 123418284) is 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate is Cc1cc2sc(C3(C(=O)OCCN4CCOCC4)CC3)cc2s1.
What is the InChIKey of 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
The InChIKey is QLCHOBDYSNKWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12-10-13-14(22-12)11-15(23-13)17(2-3-17)16(19)21-9-6-18-4-7-20-8-5-18/h10-11H,2-9H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 123418284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).