3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide

C9H16N2O4S2 — CID 82182221

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide
SMILESNC(=S)CCS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O4S2/c10-8(16)1-6-17(13,14)7-9(12)11-2-4-15-5-3-11/h1-7H2,(H2,10,16)
InChIKeyQODXRMYASFEVSQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP-1.06
Rot. Bonds5

About 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide

3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide (PubChem CID 82182221) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide
PubChem CID82182221
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide
SMILESNC(=S)CCS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O4S2/c10-8(16)1-6-17(13,14)7-9(12)11-2-4-15-5-3-11/h1-7H2,(H2,10,16)
InChIKeyQODXRMYASFEVSQ-UHFFFAOYSA-N
XLogP-1.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide (CID 82182221) is 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide is NC(=S)CCS(=O)(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide?
The InChIKey is QODXRMYASFEVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c10-8(16)1-6-17(13,14)7-9(12)11-2-4-15-5-3-11/h1-7H2,(H2,10,16).
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide?
3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide has a molecular weight of 280.37 g/mol, XLogP of -1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide is sourced from PubChem (CID 82182221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).