sodium;formamide;propane-1-sulfonate

C4H10NNaO4S — CID 175799475

IUPACsodium;formamide;propane-1-sulfonate
SMILESCCCS(=O)(=O)[O-].NC=O.[Na+]
InChIInChI=1S/C3H8O3S.CH3NO.Na/c1-2-3-7(4,5)6;2-1-3;/h2-3H2,1H3,(H,4,5,6);1H,(H2,2,3);/q;;+1/p-1
InChIKeyOBLKMVCLWTYVHU-UHFFFAOYSA-M
MW191.18 g/mol
LogP-3.95
Rot. Bonds2

About sodium;formamide;propane-1-sulfonate

sodium;formamide;propane-1-sulfonate (PubChem CID 175799475) has the molecular formula C4H10NNaO4S and a molecular weight of 191.18 g/mol. Its IUPAC name is sodium;formamide;propane-1-sulfonate.

Molecular Properties

Compound Namesodium;formamide;propane-1-sulfonate
PubChem CID175799475
Molecular FormulaC4H10NNaO4S
Molecular Weight191.18 g/mol
Exact Mass191.02
IUPAC Namesodium;formamide;propane-1-sulfonate
SMILESCCCS(=O)(=O)[O-].NC=O.[Na+]
InChIInChI=1S/C3H8O3S.CH3NO.Na/c1-2-3-7(4,5)6;2-1-3;/h2-3H2,1H3,(H,4,5,6);1H,(H2,2,3);/q;;+1/p-1
InChIKeyOBLKMVCLWTYVHU-UHFFFAOYSA-M
XLogP-3.95
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-3.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium propane-1-sulfonate
CID 131984534
sodium;methanethiol;propane-1-sulfonate
CID 175220248
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
potassium propane-1-sulfonate
CID 23693600
lithium butane-1-sulfonate
CID 23684871
sodium dodecane-1-sulfonate
CID 23665726
sodium;pentane-1-sulfonate;hydrate
CID 23693099
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
dodecylazanium;propane-1-sulfonate
CID 161057957
aluminum tris(butane-1-sulfonate)
CID 158588198
disodium;dodecane-1-sulfonate;hydroxide
CID 141290299
sodium;ethanesulfonate;hydrate
CID 23680479

Frequently Asked Questions

What is the IUPAC name of sodium;formamide;propane-1-sulfonate?
The IUPAC name of sodium;formamide;propane-1-sulfonate (CID 175799475) is sodium;formamide;propane-1-sulfonate.
What is the SMILES notation for sodium;formamide;propane-1-sulfonate?
The canonical SMILES for sodium;formamide;propane-1-sulfonate is CCCS(=O)(=O)[O-].NC=O.[Na+].
What is the InChIKey of sodium;formamide;propane-1-sulfonate?
The InChIKey is OBLKMVCLWTYVHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S.CH3NO.Na/c1-2-3-7(4,5)6;2-1-3;/h2-3H2,1H3,(H,4,5,6);1H,(H2,2,3);/q;;+1/p-1.
What are the key properties of sodium;formamide;propane-1-sulfonate?
sodium;formamide;propane-1-sulfonate has a molecular weight of 191.18 g/mol, XLogP of -3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formamide;propane-1-sulfonate is sourced from PubChem (CID 175799475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).