4-(thiane-2-carbonyl)morpholine-2-carbonitrile

C11H16N2O2S — CID 80593795

IUPAC4-(thiane-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCCCS2)CCO1
InChIInChI=1S/C11H16N2O2S/c12-7-9-8-13(4-5-15-9)11(14)10-3-1-2-6-16-10/h9-10H,1-6,8H2
InChIKeyQDRWMVGTISUPSD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.02
Rot. Bonds1

About 4-(thiane-2-carbonyl)morpholine-2-carbonitrile

4-(thiane-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 80593795) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(thiane-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(thiane-2-carbonyl)morpholine-2-carbonitrile
PubChem CID80593795
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(thiane-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCCCS2)CCO1
InChIInChI=1S/C11H16N2O2S/c12-7-9-8-13(4-5-15-9)11(14)10-3-1-2-6-16-10/h9-10H,1-6,8H2
InChIKeyQDRWMVGTISUPSD-UHFFFAOYSA-N
XLogP1.02
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiane-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(thiane-2-carbonyl)morpholine-2-carbonitrile (CID 80593795) is 4-(thiane-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(thiane-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(thiane-2-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C2CCCCS2)CCO1.
What is the InChIKey of 4-(thiane-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is QDRWMVGTISUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-7-9-8-13(4-5-15-9)11(14)10-3-1-2-6-16-10/h9-10H,1-6,8H2.
What are the key properties of 4-(thiane-2-carbonyl)morpholine-2-carbonitrile?
4-(thiane-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiane-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 80593795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).