ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate

C6H10N2O4S — CID 90816908

IUPACethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate
SMILESCCOC(=O)CN(S)C(=O)NC=O
InChIInChI=1S/C6H10N2O4S/c1-2-12-5(10)3-8(13)6(11)7-4-9/h4,13H,2-3H2,1H3,(H,7,9,11)
InChIKeyHZFMCQPTIXZSFQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.44
Rot. Bonds4

About ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate

ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate (PubChem CID 90816908) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate
PubChem CID90816908
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Nameethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate
SMILESCCOC(=O)CN(S)C(=O)NC=O
InChIInChI=1S/C6H10N2O4S/c1-2-12-5(10)3-8(13)6(11)7-4-9/h4,13H,2-3H2,1H3,(H,7,9,11)
InChIKeyHZFMCQPTIXZSFQ-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate?
The IUPAC name of ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate (CID 90816908) is ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate.
What is the SMILES notation for ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate?
The canonical SMILES for ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate is CCOC(=O)CN(S)C(=O)NC=O.
What is the InChIKey of ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate?
The InChIKey is HZFMCQPTIXZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-2-12-5(10)3-8(13)6(11)7-4-9/h4,13H,2-3H2,1H3,(H,7,9,11).
What are the key properties of ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate?
ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate has a molecular weight of 206.22 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate is sourced from PubChem (CID 90816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).