1,1-dimethoxy-2-(sulfamoylamino)ethane

C4H12N2O4S — CID 87550818

IUPAC1,1-dimethoxy-2-(sulfamoylamino)ethane
SMILESCOC(CNS(N)(=O)=O)OC
InChIInChI=1S/C4H12N2O4S/c1-9-4(10-2)3-6-11(5,7)8/h4,6H,3H2,1-2H3,(H2,5,7,8)
InChIKeyKYAXASRBCZJFTE-UHFFFAOYSA-N
MW184.22 g/mol
LogP-1.60
Rot. Bonds5

About 1,1-dimethoxy-2-(sulfamoylamino)ethane

1,1-dimethoxy-2-(sulfamoylamino)ethane (PubChem CID 87550818) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(sulfamoylamino)ethane.

Molecular Properties

Compound Name1,1-dimethoxy-2-(sulfamoylamino)ethane
PubChem CID87550818
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Name1,1-dimethoxy-2-(sulfamoylamino)ethane
SMILESCOC(CNS(N)(=O)=O)OC
InChIInChI=1S/C4H12N2O4S/c1-9-4(10-2)3-6-11(5,7)8/h4,6H,3H2,1-2H3,(H2,5,7,8)
InChIKeyKYAXASRBCZJFTE-UHFFFAOYSA-N
XLogP-1.60
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-(sulfamoylamino)ethane?
The IUPAC name of 1,1-dimethoxy-2-(sulfamoylamino)ethane (CID 87550818) is 1,1-dimethoxy-2-(sulfamoylamino)ethane.
What is the SMILES notation for 1,1-dimethoxy-2-(sulfamoylamino)ethane?
The canonical SMILES for 1,1-dimethoxy-2-(sulfamoylamino)ethane is COC(CNS(N)(=O)=O)OC.
What is the InChIKey of 1,1-dimethoxy-2-(sulfamoylamino)ethane?
The InChIKey is KYAXASRBCZJFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S/c1-9-4(10-2)3-6-11(5,7)8/h4,6H,3H2,1-2H3,(H2,5,7,8).
What are the key properties of 1,1-dimethoxy-2-(sulfamoylamino)ethane?
1,1-dimethoxy-2-(sulfamoylamino)ethane has a molecular weight of 184.22 g/mol, XLogP of -1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-(sulfamoylamino)ethane is sourced from PubChem (CID 87550818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).