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

C9H10N2O2S — CID 134811467

IUPAC4-(5-isocyanatothiophen-2-yl)morpholine
SMILESO=C=Nc1ccc(N2CCOCC2)s1
InChIInChI=1S/C9H10N2O2S/c12-7-10-8-1-2-9(14-8)11-3-5-13-6-4-11/h1-2H,3-6H2
InChIKeyWMBZTZRYDWUURO-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.55
Rot. Bonds2

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

4-(5-isocyanatothiophen-2-yl)morpholine (PubChem CID 134811467) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-(5-isocyanatothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-isocyanatothiophen-2-yl)morpholine
PubChem CID134811467
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4-(5-isocyanatothiophen-2-yl)morpholine
SMILESO=C=Nc1ccc(N2CCOCC2)s1
InChIInChI=1S/C9H10N2O2S/c12-7-10-8-1-2-9(14-8)11-3-5-13-6-4-11/h1-2H,3-6H2
InChIKeyWMBZTZRYDWUURO-UHFFFAOYSA-N
XLogP1.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-isocyanatothiophen-2-yl)morpholine?
The IUPAC name of 4-(5-isocyanatothiophen-2-yl)morpholine (CID 134811467) is 4-(5-isocyanatothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(5-isocyanatothiophen-2-yl)morpholine?
The canonical SMILES for 4-(5-isocyanatothiophen-2-yl)morpholine is O=C=Nc1ccc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-isocyanatothiophen-2-yl)morpholine?
The InChIKey is WMBZTZRYDWUURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-7-10-8-1-2-9(14-8)11-3-5-13-6-4-11/h1-2H,3-6H2.
What are the key properties of 4-(5-isocyanatothiophen-2-yl)morpholine?
4-(5-isocyanatothiophen-2-yl)morpholine has a molecular weight of 210.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-isocyanatothiophen-2-yl)morpholine is sourced from PubChem (CID 134811467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).