4-(5-nitrothiophen-2-yl)morpholine

C8H10N2O3S — CID 3654014

IUPAC4-(5-nitrothiophen-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O3S/c11-10(12)8-2-1-7(14-8)9-3-5-13-6-4-9/h1-2H,3-6H2
InChIKeyKHVVBNIJZRLCTK-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.49
Rot. Bonds2

About 4-(5-nitrothiophen-2-yl)morpholine

4-(5-nitrothiophen-2-yl)morpholine (PubChem CID 3654014) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-(5-nitrothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitrothiophen-2-yl)morpholine
PubChem CID3654014
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name4-(5-nitrothiophen-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O3S/c11-10(12)8-2-1-7(14-8)9-3-5-13-6-4-9/h1-2H,3-6H2
InChIKeyKHVVBNIJZRLCTK-UHFFFAOYSA-N
XLogP1.49
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 4-(5-nitrothiophen-2-yl)morpholine?
The IUPAC name of 4-(5-nitrothiophen-2-yl)morpholine (CID 3654014) is 4-(5-nitrothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(5-nitrothiophen-2-yl)morpholine?
The canonical SMILES for 4-(5-nitrothiophen-2-yl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-nitrothiophen-2-yl)morpholine?
The InChIKey is KHVVBNIJZRLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-10(12)8-2-1-7(14-8)9-3-5-13-6-4-9/h1-2H,3-6H2.
What are the key properties of 4-(5-nitrothiophen-2-yl)morpholine?
4-(5-nitrothiophen-2-yl)morpholine has a molecular weight of 214.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitrothiophen-2-yl)morpholine is sourced from PubChem (CID 3654014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).