4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile

C10H9ClN2O2S — CID 80644121

IUPAC4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2sccc2Cl)CCO1
InChIInChI=1S/C10H9ClN2O2S/c11-8-1-4-16-9(8)10(14)13-2-3-15-7(5-12)6-13/h1,4,7H,2-3,6H2
InChIKeyXUFKJBPLBDHIFF-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.77
Rot. Bonds1

About 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile

4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 80644121) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
PubChem CID80644121
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2sccc2Cl)CCO1
InChIInChI=1S/C10H9ClN2O2S/c11-8-1-4-16-9(8)10(14)13-2-3-15-7(5-12)6-13/h1,4,7H,2-3,6H2
InChIKeyXUFKJBPLBDHIFF-UHFFFAOYSA-N
XLogP1.77
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile (CID 80644121) is 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2sccc2Cl)CCO1.
What is the InChIKey of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is XUFKJBPLBDHIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-8-1-4-16-9(8)10(14)13-2-3-15-7(5-12)6-13/h1,4,7H,2-3,6H2.
What are the key properties of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile?
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 256.71 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 80644121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).