4-(4-aminocyclohexyl)thiomorpholine-3,5-dione

C10H16N2O2S — CID 104570981

IUPAC4-(4-aminocyclohexyl)thiomorpholine-3,5-dione
SMILESNC1CCC(N2C(=O)CSCC2=O)CC1
InChIInChI=1S/C10H16N2O2S/c11-7-1-3-8(4-2-7)12-9(13)5-15-6-10(12)14/h7-8H,1-6,11H2
InChIKeyOIGCMYPQGJIZMZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.36
Rot. Bonds1

About 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione

4-(4-aminocyclohexyl)thiomorpholine-3,5-dione (PubChem CID 104570981) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)thiomorpholine-3,5-dione
PubChem CID104570981
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(4-aminocyclohexyl)thiomorpholine-3,5-dione
SMILESNC1CCC(N2C(=O)CSCC2=O)CC1
InChIInChI=1S/C10H16N2O2S/c11-7-1-3-8(4-2-7)12-9(13)5-15-6-10(12)14/h7-8H,1-6,11H2
InChIKeyOIGCMYPQGJIZMZ-UHFFFAOYSA-N
XLogP0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione (CID 104570981) is 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione is NC1CCC(N2C(=O)CSCC2=O)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione?
The InChIKey is OIGCMYPQGJIZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-7-1-3-8(4-2-7)12-9(13)5-15-6-10(12)14/h7-8H,1-6,11H2.
What are the key properties of 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione?
4-(4-aminocyclohexyl)thiomorpholine-3,5-dione has a molecular weight of 228.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 104570981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).