acetyloxysulfanyl 2-(ethylamino)acetate

C6H11NO4S — CID 91034283

IUPACacetyloxysulfanyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OSOC(C)=O
InChIInChI=1S/C6H11NO4S/c1-3-7-4-6(9)11-12-10-5(2)8/h7H,3-4H2,1-2H3
InChIKeyAFVRWFKUSMMVFY-UHFFFAOYSA-N
MW193.22 g/mol
LogP0.27
Rot. Bonds5

About acetyloxysulfanyl 2-(ethylamino)acetate

acetyloxysulfanyl 2-(ethylamino)acetate (PubChem CID 91034283) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is acetyloxysulfanyl 2-(ethylamino)acetate.

Molecular Properties

Compound Nameacetyloxysulfanyl 2-(ethylamino)acetate
PubChem CID91034283
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Nameacetyloxysulfanyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OSOC(C)=O
InChIInChI=1S/C6H11NO4S/c1-3-7-4-6(9)11-12-10-5(2)8/h7H,3-4H2,1-2H3
InChIKeyAFVRWFKUSMMVFY-UHFFFAOYSA-N
XLogP0.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze acetyloxysulfanyl 2-(ethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetyloxysulfanyl pent-4-enoate
CID 88656098
[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate
CID 90850764
[2-(ethylamino)acetyl] dodecanoate
CID 87803500
disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride
CID 174575429
2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate
CID 106448275
ethanol;ethyl acetate;N-ethylethanamine;propan-2-one
CID 158913124
2-(ethylamino)-N-oxoacetamide
CID 138632842
acetic acid;N-ethylethanamine;methanol;hydrate
CID 159655795
3-(ethylamino)propyl acetate
CID 88999125
3-ethyl-1-(ethylamino)pentan-2-one
CID 116562665
ethane;2-(ethylamino)-N,N-dimethylacetamide
CID 162757499
ethyl acetate;2-(ethylamino)ethanol
CID 88508580

Frequently Asked Questions

What is the IUPAC name of acetyloxysulfanyl 2-(ethylamino)acetate?
The IUPAC name of acetyloxysulfanyl 2-(ethylamino)acetate (CID 91034283) is acetyloxysulfanyl 2-(ethylamino)acetate.
What is the SMILES notation for acetyloxysulfanyl 2-(ethylamino)acetate?
The canonical SMILES for acetyloxysulfanyl 2-(ethylamino)acetate is CCNCC(=O)OSOC(C)=O.
What is the InChIKey of acetyloxysulfanyl 2-(ethylamino)acetate?
The InChIKey is AFVRWFKUSMMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-3-7-4-6(9)11-12-10-5(2)8/h7H,3-4H2,1-2H3.
What are the key properties of acetyloxysulfanyl 2-(ethylamino)acetate?
acetyloxysulfanyl 2-(ethylamino)acetate has a molecular weight of 193.22 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxysulfanyl 2-(ethylamino)acetate is sourced from PubChem (CID 91034283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).