4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione

C7H12N2O2S — CID 104570982

IUPAC4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione
SMILESCNCCN1C(=O)CSCC1=O
InChIInChI=1S/C7H12N2O2S/c1-8-2-3-9-6(10)4-12-5-7(9)11/h8H,2-5H2,1H3
InChIKeyIHZHXDRLLDCZBY-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.69
Rot. Bonds3

About 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione

4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione (PubChem CID 104570982) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione
PubChem CID104570982
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione
SMILESCNCCN1C(=O)CSCC1=O
InChIInChI=1S/C7H12N2O2S/c1-8-2-3-9-6(10)4-12-5-7(9)11/h8H,2-5H2,1H3
InChIKeyIHZHXDRLLDCZBY-UHFFFAOYSA-N
XLogP-0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)thiomorpholine-3,5-dione
CID 104570964
3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 65297434
3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 54496273
4-[3-(methylamino)propyl]morpholine-3,5-dione
CID 58940962
4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one
CID 130524511
2-[2-(methylamino)ethyl]-1,3-thiazol-4-one
CID 164644186
4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione
CID 104570913
6-(hydroxymethyl)-3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115071487
4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 19898965
4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione
CID 104570934
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506369

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione?
The IUPAC name of 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione (CID 104570982) is 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione.
What is the SMILES notation for 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione?
The canonical SMILES for 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione is CNCCN1C(=O)CSCC1=O.
What is the InChIKey of 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione?
The InChIKey is IHZHXDRLLDCZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8-2-3-9-6(10)4-12-5-7(9)11/h8H,2-5H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione?
4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione has a molecular weight of 188.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione is sourced from PubChem (CID 104570982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).