4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine

C14H14N2O3S — CID 133363741

IUPAC4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
SMILESO=[N+]([O-])c1ccccc1N1CCOC(c2cccs2)C1
InChIInChI=1S/C14H14N2O3S/c17-16(18)12-5-2-1-4-11(12)15-7-8-19-13(10-15)14-6-3-9-20-14/h1-6,9,13H,7-8,10H2
InChIKeyURZPHJGXSHWHJD-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.23
Rot. Bonds3

About 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine

4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine (PubChem CID 133363741) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
PubChem CID133363741
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
SMILESO=[N+]([O-])c1ccccc1N1CCOC(c2cccs2)C1
InChIInChI=1S/C14H14N2O3S/c17-16(18)12-5-2-1-4-11(12)15-7-8-19-13(10-15)14-6-3-9-20-14/h1-6,9,13H,7-8,10H2
InChIKeyURZPHJGXSHWHJD-UHFFFAOYSA-N
XLogP3.23
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,4-dinitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363496
3-nitro-4-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile
CID 133363654
4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylmorpholine
CID 133363538
2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
CID 47983309
4-[4-nitro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylmorpholine
CID 133363573
4-[2-(methoxymethyl)-4-nitrophenyl]-2-thiophen-2-ylmorpholine
CID 133363702
4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine
CID 133363579
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
CID 133363707
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363720
2-thiophen-2-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420353

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine (CID 133363741) is 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine is O=[N+]([O-])c1ccccc1N1CCOC(c2cccs2)C1.
What is the InChIKey of 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine?
The InChIKey is URZPHJGXSHWHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-16(18)12-5-2-1-4-11(12)15-7-8-19-13(10-15)14-6-3-9-20-14/h1-6,9,13H,7-8,10H2.
What are the key properties of 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine?
4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine has a molecular weight of 290.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).