CID 22244101

C2H9N2O5S2- — CID 22244101

IUPAC—
SMILESNCCS(=O)(=O)O.NS(=O)[O-]
InChIInChI=1S/C2H7NO3S.H3NO2S/c3-1-2-7(4,5)6;1-4(2)3/h1-3H2,(H,4,5,6);1H2,(H,2,3)/p-1
InChIKeyRGEXGZVCAYPVTA-UHFFFAOYSA-M
MW205.24 g/mol
LogP-2.43
Rot. Bonds2

About CID 22244101

CID 22244101 (PubChem CID 22244101) has the molecular formula C2H9N2O5S2- and a molecular weight of 205.24 g/mol.

Molecular Properties

Compound NameCID 22244101
PubChem CID22244101
Molecular FormulaC2H9N2O5S2-
Molecular Weight205.24 g/mol
Exact Mass205.00
IUPAC Name—
SMILESNCCS(=O)(=O)O.NS(=O)[O-]
InChIInChI=1S/C2H7NO3S.H3NO2S/c3-1-2-7(4,5)6;1-4(2)3/h1-3H2,(H,4,5,6);1H2,(H,2,3)/p-1
InChIKeyRGEXGZVCAYPVTA-UHFFFAOYSA-M
XLogP-2.43
TPSA146.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-aminoethanesulfonic acid;hexane-1,2,3,4,5,6-hexol
CID 19097590
2-aminoethanesulfonic acid;4-methyl-2-oxopentanoic acid
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4-sulfobutane-1-sulfinate
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Frequently Asked Questions

What is the IUPAC name of CID 22244101?
The IUPAC name of CID 22244101 (CID 22244101) is not available.
What is the SMILES notation for CID 22244101?
The canonical SMILES for CID 22244101 is NCCS(=O)(=O)O.NS(=O)[O-].
What is the InChIKey of CID 22244101?
The InChIKey is RGEXGZVCAYPVTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3S.H3NO2S/c3-1-2-7(4,5)6;1-4(2)3/h1-3H2,(H,4,5,6);1H2,(H,2,3)/p-1.
What are the key properties of CID 22244101?
CID 22244101 has a molecular weight of 205.24 g/mol, XLogP of -2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22244101 is sourced from PubChem (CID 22244101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).