2,2-diaminoethenesulfinate

C2H5N2O2S- — CID 174754284

IUPAC2,2-diaminoethenesulfinate
SMILESNC(N)=CS(=O)[O-]
InChIInChI=1S/C2H6N2O2S/c3-2(4)1-7(5)6/h1H,3-4H2,(H,5,6)/p-1
InChIKeyNXKTYWSKBALDFW-UHFFFAOYSA-M
MW121.14 g/mol
LogP-1.42
Rot. Bonds1

About 2,2-diaminoethenesulfinate

2,2-diaminoethenesulfinate (PubChem CID 174754284) has the molecular formula C2H5N2O2S- and a molecular weight of 121.14 g/mol. Its IUPAC name is 2,2-diaminoethenesulfinate.

Molecular Properties

Compound Name2,2-diaminoethenesulfinate
PubChem CID174754284
Molecular FormulaC2H5N2O2S-
Molecular Weight121.14 g/mol
Exact Mass121.01
IUPAC Name2,2-diaminoethenesulfinate
SMILESNC(N)=CS(=O)[O-]
InChIInChI=1S/C2H6N2O2S/c3-2(4)1-7(5)6/h1H,3-4H2,(H,5,6)/p-1
InChIKeyNXKTYWSKBALDFW-UHFFFAOYSA-M
XLogP-1.42
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diaminoethenesulfinic acid
CID 174754285
prop-1-ene-1,1-diamine;dihydrochloride
CID 141360869
sodium;hydrogen sulfite;oct-1-ene-1,1-diamine
CID 86751100
lithium (1E)-2-methylbuta-1,3-diene-1-sulfinate
CID 122229942
amino(sulfanylidene)methanesulfinate
CID 57256184
sodium;hydride;prop-1-ene-1,1-diamine
CID 174521873
azanium;sodium;hydrogen sulfite;urea
CID 161388694
carbamic acid;hydrogen sulfite;hydrochloride
CID 174945498
potassium;hydrogen sulfite;propanamide
CID 174649785
hydrogen sulfite;methanol;hydrochloride
CID 174961977
sulfanylidenemethanesulfinate
CID 90981632
sodium;propan-2-one;sulfite
CID 22596868

Frequently Asked Questions

What is the IUPAC name of 2,2-diaminoethenesulfinate?
The IUPAC name of 2,2-diaminoethenesulfinate (CID 174754284) is 2,2-diaminoethenesulfinate.
What is the SMILES notation for 2,2-diaminoethenesulfinate?
The canonical SMILES for 2,2-diaminoethenesulfinate is NC(N)=CS(=O)[O-].
What is the InChIKey of 2,2-diaminoethenesulfinate?
The InChIKey is NXKTYWSKBALDFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6N2O2S/c3-2(4)1-7(5)6/h1H,3-4H2,(H,5,6)/p-1.
What are the key properties of 2,2-diaminoethenesulfinate?
2,2-diaminoethenesulfinate has a molecular weight of 121.14 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diaminoethenesulfinate is sourced from PubChem (CID 174754284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).