3-morpholin-4-yl-3-oxopropanethioamide

C7H12N2O2S — CID 1493878

IUPAC3-morpholin-4-yl-3-oxopropanethioamide
SMILESNC(=S)CC(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O2S/c8-6(12)5-7(10)9-1-3-11-4-2-9/h1-5H2,(H2,8,12)
InChIKeyWNKGERRTWOSDEM-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.48
Rot. Bonds2

About 3-morpholin-4-yl-3-oxopropanethioamide

3-morpholin-4-yl-3-oxopropanethioamide (PubChem CID 1493878) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-oxopropanethioamide.

Molecular Properties

Compound Name3-morpholin-4-yl-3-oxopropanethioamide
PubChem CID1493878
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-morpholin-4-yl-3-oxopropanethioamide
SMILESNC(=S)CC(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O2S/c8-6(12)5-7(10)9-1-3-11-4-2-9/h1-5H2,(H2,8,12)
InChIKeyWNKGERRTWOSDEM-UHFFFAOYSA-N
XLogP-0.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-morpholin-4-yl-3-oxopropanethioamide?
The IUPAC name of 3-morpholin-4-yl-3-oxopropanethioamide (CID 1493878) is 3-morpholin-4-yl-3-oxopropanethioamide.
What is the SMILES notation for 3-morpholin-4-yl-3-oxopropanethioamide?
The canonical SMILES for 3-morpholin-4-yl-3-oxopropanethioamide is NC(=S)CC(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-3-oxopropanethioamide?
The InChIKey is WNKGERRTWOSDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c8-6(12)5-7(10)9-1-3-11-4-2-9/h1-5H2,(H2,8,12).
What are the key properties of 3-morpholin-4-yl-3-oxopropanethioamide?
3-morpholin-4-yl-3-oxopropanethioamide has a molecular weight of 188.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-oxopropanethioamide is sourced from PubChem (CID 1493878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).