methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate

C10H12N2O5S — CID 11022019

IUPACmethyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate
SMILESCOC(=O)c1cc([N+](=O)[O-])sc1N1CCOCC1
InChIInChI=1S/C10H12N2O5S/c1-16-10(13)7-6-8(12(14)15)18-9(7)11-2-4-17-5-3-11/h6H,2-5H2,1H3
InChIKeyNDGFDXWSGYDIBW-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate

methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate (PubChem CID 11022019) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate
PubChem CID11022019
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Namemethyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate
SMILESCOC(=O)c1cc([N+](=O)[O-])sc1N1CCOCC1
InChIInChI=1S/C10H12N2O5S/c1-16-10(13)7-6-8(12(14)15)18-9(7)11-2-4-17-5-3-11/h6H,2-5H2,1H3
InChIKeyNDGFDXWSGYDIBW-UHFFFAOYSA-N
XLogP1.28
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-methyl-5-nitrothiophen-2-yl)morpholine
CID 11075160
dimethyl 5-nitrothiophene-2,3-dicarboxylate
CID 154194749
methyl 3-methyl-4-morpholin-4-yl-2-nitrobenzoate
CID 151575136
methyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737610
methyl 2-fluoro-5-morpholin-4-yl-4-nitrobenzoate
CID 104699514
1-(5-morpholin-4-yl-4-nitrothiophen-2-yl)ethanone
CID 2820095
methyl 3-morpholin-4-yl-5-nitrobenzoate;3-morpholin-4-yl-5-nitrobenzoic acid
CID 161316343
methyl 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoate
CID 100918244
methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 121224668
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 4-morpholin-4-yl-3-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]benzoate
CID 17336538
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419080

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate (CID 11022019) is methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate is COC(=O)c1cc([N+](=O)[O-])sc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate?
The InChIKey is NDGFDXWSGYDIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-16-10(13)7-6-8(12(14)15)18-9(7)11-2-4-17-5-3-11/h6H,2-5H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate?
methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate has a molecular weight of 272.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate is sourced from PubChem (CID 11022019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).