ethylidenesulfamic acid

C2H5NO3S — CID 173442770

IUPACethylidenesulfamic acid
SMILESCC=NS(=O)(=O)O
InChIInChI=1S/C2H5NO3S/c1-2-3-7(4,5)6/h2H,1H3,(H,4,5,6)
InChIKeyQTDRYKSGOILVQG-UHFFFAOYSA-N
MW123.13 g/mol
LogP-0.12
Rot. Bonds1

About ethylidenesulfamic acid

ethylidenesulfamic acid (PubChem CID 173442770) has the molecular formula C2H5NO3S and a molecular weight of 123.13 g/mol. Its IUPAC name is ethylidenesulfamic acid.

Molecular Properties

Compound Nameethylidenesulfamic acid
PubChem CID173442770
Molecular FormulaC2H5NO3S
Molecular Weight123.13 g/mol
Exact Mass123.00
IUPAC Nameethylidenesulfamic acid
SMILESCC=NS(=O)(=O)O
InChIInChI=1S/C2H5NO3S/c1-2-3-7(4,5)6/h2H,1H3,(H,4,5,6)
InChIKeyQTDRYKSGOILVQG-UHFFFAOYSA-N
XLogP-0.12
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-ethylidenehydroxylamine;sulfuric acid
CID 118485193
(E)-4-oxobutylidenesulfamic acid
CID 22731903
(Z)-prop-1-ene-1-sulfonic acid
CID 59687204
dihydroxy-oxo-tellanylidene-λ6-sulfane
CID 175890496
methanol;sulfuric acid
CID 174902694
ethane;sulfuric acid
CID 174865721
sodium;prop-1-ene;sulfoazanide
CID 22369884
methanesulfonic acid;hydrate
CID 87278985
sulfuric acid;tetramethyl-λ4-sulfane
CID 87168995
methanesulfonic acid;stibane
CID 173129060
CID 87129852
CID 87129852
(2-formylphenyl)methylidenesulfamic acid
CID 173002533

Frequently Asked Questions

What is the IUPAC name of ethylidenesulfamic acid?
The IUPAC name of ethylidenesulfamic acid (CID 173442770) is ethylidenesulfamic acid.
What is the SMILES notation for ethylidenesulfamic acid?
The canonical SMILES for ethylidenesulfamic acid is CC=NS(=O)(=O)O.
What is the InChIKey of ethylidenesulfamic acid?
The InChIKey is QTDRYKSGOILVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3S/c1-2-3-7(4,5)6/h2H,1H3,(H,4,5,6).
What are the key properties of ethylidenesulfamic acid?
ethylidenesulfamic acid has a molecular weight of 123.13 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenesulfamic acid is sourced from PubChem (CID 173442770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).