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

C10H14N2O2S — CID 79674075

IUPAC4-(thiolane-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCSC2)CCO1
InChIInChI=1S/C10H14N2O2S/c11-5-9-6-12(2-3-14-9)10(13)8-1-4-15-7-8/h8-9H,1-4,6-7H2
InChIKeyTWWVUYNHOLTEGJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.49
Rot. Bonds1

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

4-(thiolane-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 79674075) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(thiolane-3-carbonyl)morpholine-2-carbonitrile
PubChem CID79674075
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(thiolane-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCSC2)CCO1
InChIInChI=1S/C10H14N2O2S/c11-5-9-6-12(2-3-14-9)10(13)8-1-4-15-7-8/h8-9H,1-4,6-7H2
InChIKeyTWWVUYNHOLTEGJ-UHFFFAOYSA-N
XLogP0.49
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile (CID 79674075) is 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C2CCSC2)CCO1.
What is the InChIKey of 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is TWWVUYNHOLTEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-5-9-6-12(2-3-14-9)10(13)8-1-4-15-7-8/h8-9H,1-4,6-7H2.
What are the key properties of 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile?
4-(thiolane-3-carbonyl)morpholine-2-carbonitrile has a molecular weight of 226.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolane-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).