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

C11H16N2O2S — CID 81005566

IUPAC4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile
SMILESCC1(C(=O)N2CCOC(C#N)C2)CCCS1
InChIInChI=1S/C11H16N2O2S/c1-11(3-2-6-16-11)10(14)13-4-5-15-9(7-12)8-13/h9H,2-6,8H2,1H3
InChIKeyQWAGXEQKWSSBFZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.02
Rot. Bonds1

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

4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 81005566) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile
PubChem CID81005566
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile
SMILESCC1(C(=O)N2CCOC(C#N)C2)CCCS1
InChIInChI=1S/C11H16N2O2S/c1-11(3-2-6-16-11)10(14)13-4-5-15-9(7-12)8-13/h9H,2-6,8H2,1H3
InChIKeyQWAGXEQKWSSBFZ-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-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile (CID 81005566) is 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile is CC1(C(=O)N2CCOC(C#N)C2)CCCS1.
What is the InChIKey of 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is QWAGXEQKWSSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(3-2-6-16-11)10(14)13-4-5-15-9(7-12)8-13/h9H,2-6,8H2,1H3.
What are the key properties of 4-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile?
4-(2-methylthiolane-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-(2-methylthiolane-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 81005566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).