1-ethoxy-2-(sulfamoylamino)ethane

C4H12N2O3S — CID 86657940

IUPAC1-ethoxy-2-(sulfamoylamino)ethane
SMILESCCOCCNS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-2-9-4-3-6-10(5,7)8/h6H,2-4H2,1H3,(H2,5,7,8)
InChIKeyXDDREKDXCXDXAK-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.18
Rot. Bonds5

About 1-ethoxy-2-(sulfamoylamino)ethane

1-ethoxy-2-(sulfamoylamino)ethane (PubChem CID 86657940) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-ethoxy-2-(sulfamoylamino)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(sulfamoylamino)ethane
PubChem CID86657940
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name1-ethoxy-2-(sulfamoylamino)ethane
SMILESCCOCCNS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-2-9-4-3-6-10(5,7)8/h6H,2-4H2,1H3,(H2,5,7,8)
InChIKeyXDDREKDXCXDXAK-UHFFFAOYSA-N
XLogP-1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(sulfamoylamino)ethane?
The IUPAC name of 1-ethoxy-2-(sulfamoylamino)ethane (CID 86657940) is 1-ethoxy-2-(sulfamoylamino)ethane.
What is the SMILES notation for 1-ethoxy-2-(sulfamoylamino)ethane?
The canonical SMILES for 1-ethoxy-2-(sulfamoylamino)ethane is CCOCCNS(N)(=O)=O.
What is the InChIKey of 1-ethoxy-2-(sulfamoylamino)ethane?
The InChIKey is XDDREKDXCXDXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-2-9-4-3-6-10(5,7)8/h6H,2-4H2,1H3,(H2,5,7,8).
What are the key properties of 1-ethoxy-2-(sulfamoylamino)ethane?
1-ethoxy-2-(sulfamoylamino)ethane has a molecular weight of 168.22 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(sulfamoylamino)ethane is sourced from PubChem (CID 86657940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).