N-ethoxycarbonylethanesulfonimidic acid

C5H11NO4S — CID 20718446

IUPACN-ethoxycarbonylethanesulfonimidic acid
SMILESCCOC(=O)N=S(=O)(O)CC
InChIInChI=1S/C5H11NO4S/c1-3-10-5(7)6-11(8,9)4-2/h3-4H2,1-2H3,(H,6,7,8,9)
InChIKeyCGXQKXVYSABCKE-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.10
Rot. Bonds2

About N-ethoxycarbonylethanesulfonimidic acid

N-ethoxycarbonylethanesulfonimidic acid (PubChem CID 20718446) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is N-ethoxycarbonylethanesulfonimidic acid.

Molecular Properties

Compound NameN-ethoxycarbonylethanesulfonimidic acid
PubChem CID20718446
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC NameN-ethoxycarbonylethanesulfonimidic acid
SMILESCCOC(=O)N=S(=O)(O)CC
InChIInChI=1S/C5H11NO4S/c1-3-10-5(7)6-11(8,9)4-2/h3-4H2,1-2H3,(H,6,7,8,9)
InChIKeyCGXQKXVYSABCKE-UHFFFAOYSA-N
XLogP1.10
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethoxycarbonylethanesulfonimidic acid?
The IUPAC name of N-ethoxycarbonylethanesulfonimidic acid (CID 20718446) is N-ethoxycarbonylethanesulfonimidic acid.
What is the SMILES notation for N-ethoxycarbonylethanesulfonimidic acid?
The canonical SMILES for N-ethoxycarbonylethanesulfonimidic acid is CCOC(=O)N=S(=O)(O)CC.
What is the InChIKey of N-ethoxycarbonylethanesulfonimidic acid?
The InChIKey is CGXQKXVYSABCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-10-5(7)6-11(8,9)4-2/h3-4H2,1-2H3,(H,6,7,8,9).
What are the key properties of N-ethoxycarbonylethanesulfonimidic acid?
N-ethoxycarbonylethanesulfonimidic acid has a molecular weight of 181.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxycarbonylethanesulfonimidic acid is sourced from PubChem (CID 20718446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).