sodium;prop-1-ene;sulfoazanide

C3H8NNaO3S — CID 22369884

IUPACsodium;prop-1-ene;sulfoazanide
SMILESC=CC.[NH-]S(=O)(=O)O.[Na+]
InChIInChI=1S/C3H6.H2NO3S.Na/c1-3-2;1-5(2,3)4;/h3H,1H2,2H3;(H2-,1,2,3,4);/q;-1;+1
InChIKeySOLQXZLNKPLSGI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.96
Rot. Bonds

About sodium;prop-1-ene;sulfoazanide

sodium;prop-1-ene;sulfoazanide (PubChem CID 22369884) has the molecular formula C3H8NNaO3S and a molecular weight of 161.16 g/mol. Its IUPAC name is sodium;prop-1-ene;sulfoazanide.

Molecular Properties

Compound Namesodium;prop-1-ene;sulfoazanide
PubChem CID22369884
Molecular FormulaC3H8NNaO3S
Molecular Weight161.16 g/mol
Exact Mass161.01
IUPAC Namesodium;prop-1-ene;sulfoazanide
SMILESC=CC.[NH-]S(=O)(=O)O.[Na+]
InChIInChI=1S/C3H6.H2NO3S.Na/c1-3-2;1-5(2,3)4;/h3H,1H2,2H3;(H2-,1,2,3,4);/q;-1;+1
InChIKeySOLQXZLNKPLSGI-UHFFFAOYSA-N
XLogP-1.96
TPSA78.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;prop-1-ene;sulfate
CID 172734907
prop-1-ene;sulfo hydrogen sulfate
CID 158163736
disodium;prop-1-ene;carbonate
CID 174861808
dilithium;hydride;prop-1-ene
CID 173133510
prop-1-ene
CID 162178440
carbamothioic S-acid;prop-1-ene
CID 87430768
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
oxovanadium;prop-1-ene
CID 174910979
acetaldehyde;prop-1-ene
CID 157049777
oxophosphane;prop-1-ene
CID 21452107
CID 175356762
CID 175356762
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064

Frequently Asked Questions

What is the IUPAC name of sodium;prop-1-ene;sulfoazanide?
The IUPAC name of sodium;prop-1-ene;sulfoazanide (CID 22369884) is sodium;prop-1-ene;sulfoazanide.
What is the SMILES notation for sodium;prop-1-ene;sulfoazanide?
The canonical SMILES for sodium;prop-1-ene;sulfoazanide is C=CC.[NH-]S(=O)(=O)O.[Na+].
What is the InChIKey of sodium;prop-1-ene;sulfoazanide?
The InChIKey is SOLQXZLNKPLSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.H2NO3S.Na/c1-3-2;1-5(2,3)4;/h3H,1H2,2H3;(H2-,1,2,3,4);/q;-1;+1.
What are the key properties of sodium;prop-1-ene;sulfoazanide?
sodium;prop-1-ene;sulfoazanide has a molecular weight of 161.16 g/mol, XLogP of -1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-1-ene;sulfoazanide is sourced from PubChem (CID 22369884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).