2,2-diaminoethane-1,1-disulfinic acid

C2H8N2O4S2 — CID 175067064

IUPAC2,2-diaminoethane-1,1-disulfinic acid
SMILESNC(N)C(S(=O)O)S(=O)O
InChIInChI=1S/C2H8N2O4S2/c3-1(4)2(9(5)6)10(7)8/h1-2H,3-4H2,(H,5,6)(H,7,8)
InChIKeyQEPLYCHHJIVOJI-UHFFFAOYSA-N
MW188.23 g/mol
LogP-2.00
Rot. Bonds3

About 2,2-diaminoethane-1,1-disulfinic acid

2,2-diaminoethane-1,1-disulfinic acid (PubChem CID 175067064) has the molecular formula C2H8N2O4S2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,2-diaminoethane-1,1-disulfinic acid.

Molecular Properties

Compound Name2,2-diaminoethane-1,1-disulfinic acid
PubChem CID175067064
Molecular FormulaC2H8N2O4S2
Molecular Weight188.23 g/mol
Exact Mass187.99
IUPAC Name2,2-diaminoethane-1,1-disulfinic acid
SMILESNC(N)C(S(=O)O)S(=O)O
InChIInChI=1S/C2H8N2O4S2/c3-1(4)2(9(5)6)10(7)8/h1-2H,3-4H2,(H,5,6)(H,7,8)
InChIKeyQEPLYCHHJIVOJI-UHFFFAOYSA-N
XLogP-2.00
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
(1-amino-2-iodoethyl) hydrogen sulfite
CID 88657301
3-amino-3-sulfinopropanoic acid
CID 57171154
difluoromethanesulfinic acid;zinc
CID 140809876
ethane-1,1-disulfinic acid
CID 56623500
CID 88840644
CID 88840644
1,2,2,2-tetrafluoroethanesulfinic acid
CID 57279877
1-sulfanylethanesulfinic acid
CID 57298371
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
1,5-diaminopentane-1-sulfinic acid;hydrochloride
CID 154572911
propan-2-ol;sulfur trioxide
CID 174853571
CID 86742114
CID 86742114

Frequently Asked Questions

What is the IUPAC name of 2,2-diaminoethane-1,1-disulfinic acid?
The IUPAC name of 2,2-diaminoethane-1,1-disulfinic acid (CID 175067064) is 2,2-diaminoethane-1,1-disulfinic acid.
What is the SMILES notation for 2,2-diaminoethane-1,1-disulfinic acid?
The canonical SMILES for 2,2-diaminoethane-1,1-disulfinic acid is NC(N)C(S(=O)O)S(=O)O.
What is the InChIKey of 2,2-diaminoethane-1,1-disulfinic acid?
The InChIKey is QEPLYCHHJIVOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O4S2/c3-1(4)2(9(5)6)10(7)8/h1-2H,3-4H2,(H,5,6)(H,7,8).
What are the key properties of 2,2-diaminoethane-1,1-disulfinic acid?
2,2-diaminoethane-1,1-disulfinic acid has a molecular weight of 188.23 g/mol, XLogP of -2.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diaminoethane-1,1-disulfinic acid is sourced from PubChem (CID 175067064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).