N-morpholin-4-yl-2-sulfanylacetamide

C6H12N2O2S — CID 83024350

IUPACN-morpholin-4-yl-2-sulfanylacetamide
SMILESO=C(CS)NN1CCOCC1
InChIInChI=1S/C6H12N2O2S/c9-6(5-11)7-8-1-3-10-4-2-8/h11H,1-5H2,(H,7,9)
InChIKeyZSJLSGPMFWJGRE-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.72
Rot. Bonds2

About N-morpholin-4-yl-2-sulfanylacetamide

N-morpholin-4-yl-2-sulfanylacetamide (PubChem CID 83024350) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-morpholin-4-yl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-morpholin-4-yl-2-sulfanylacetamide
PubChem CID83024350
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-morpholin-4-yl-2-sulfanylacetamide
SMILESO=C(CS)NN1CCOCC1
InChIInChI=1S/C6H12N2O2S/c9-6(5-11)7-8-1-3-10-4-2-8/h11H,1-5H2,(H,7,9)
InChIKeyZSJLSGPMFWJGRE-UHFFFAOYSA-N
XLogP-0.72
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-2-sulfanylacetamide?
The IUPAC name of N-morpholin-4-yl-2-sulfanylacetamide (CID 83024350) is N-morpholin-4-yl-2-sulfanylacetamide.
What is the SMILES notation for N-morpholin-4-yl-2-sulfanylacetamide?
The canonical SMILES for N-morpholin-4-yl-2-sulfanylacetamide is O=C(CS)NN1CCOCC1.
What is the InChIKey of N-morpholin-4-yl-2-sulfanylacetamide?
The InChIKey is ZSJLSGPMFWJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c9-6(5-11)7-8-1-3-10-4-2-8/h11H,1-5H2,(H,7,9).
What are the key properties of N-morpholin-4-yl-2-sulfanylacetamide?
N-morpholin-4-yl-2-sulfanylacetamide has a molecular weight of 176.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-2-sulfanylacetamide is sourced from PubChem (CID 83024350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).