2,2-diaminoethenesulfinic acid

C2H6N2O2S — CID 174754285

IUPAC2,2-diaminoethenesulfinic acid
SMILESNC(N)=CS(=O)O
InChIInChI=1S/C2H6N2O2S/c3-2(4)1-7(5)6/h1H,3-4H2,(H,5,6)
InChIKeyNXKTYWSKBALDFW-UHFFFAOYSA-N
MW122.15 g/mol
LogP-1.08
Rot. Bonds1

About 2,2-diaminoethenesulfinic acid

2,2-diaminoethenesulfinic acid (PubChem CID 174754285) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is 2,2-diaminoethenesulfinic acid.

Molecular Properties

Compound Name2,2-diaminoethenesulfinic acid
PubChem CID174754285
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Name2,2-diaminoethenesulfinic acid
SMILESNC(N)=CS(=O)O
InChIInChI=1S/C2H6N2O2S/c3-2(4)1-7(5)6/h1H,3-4H2,(H,5,6)
InChIKeyNXKTYWSKBALDFW-UHFFFAOYSA-N
XLogP-1.08
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diaminoethenesulfinate
CID 174754284
prop-1-ene-1,1-diamine;dihydrochloride
CID 141360869
CID 86742114
CID 86742114
sodium;hydride;prop-1-ene-1,1-diamine
CID 174521873
CID 163929153
CID 163929153
CID 161332384
CID 161332384
molecular nitrogen;sulfurous acid
CID 175506795
sodium;hydrogen sulfite;oct-1-ene-1,1-diamine
CID 86751100
ethylideneurea;sulfurous acid
CID 174973219
guanidine;methylsulfinylmethane
CID 155669575
1-oxoethanesulfinamide
CID 154078299
acetaldehyde;amino hydrogen sulfite
CID 87411142

Frequently Asked Questions

What is the IUPAC name of 2,2-diaminoethenesulfinic acid?
The IUPAC name of 2,2-diaminoethenesulfinic acid (CID 174754285) is 2,2-diaminoethenesulfinic acid.
What is the SMILES notation for 2,2-diaminoethenesulfinic acid?
The canonical SMILES for 2,2-diaminoethenesulfinic acid is NC(N)=CS(=O)O.
What is the InChIKey of 2,2-diaminoethenesulfinic acid?
The InChIKey is NXKTYWSKBALDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c3-2(4)1-7(5)6/h1H,3-4H2,(H,5,6).
What are the key properties of 2,2-diaminoethenesulfinic acid?
2,2-diaminoethenesulfinic acid has a molecular weight of 122.15 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diaminoethenesulfinic acid is sourced from PubChem (CID 174754285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).