sodium;hydride;propyl oxiran-2-ylmethanesulfonate

C6H13NaO4S — CID 174960442

IUPACsodium;hydride;propyl oxiran-2-ylmethanesulfonate
SMILESCCCOS(=O)(=O)CC1CO1.[H-].[Na+]
InChIInChI=1S/C6H12O4S.Na.H/c1-2-3-10-11(7,8)5-6-4-9-6;;/h6H,2-5H2,1H3;;/q;+1;-1
InChIKeyXLTLHKABTBVKEQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP-2.74
Rot. Bonds5

About sodium;hydride;propyl oxiran-2-ylmethanesulfonate

sodium;hydride;propyl oxiran-2-ylmethanesulfonate (PubChem CID 174960442) has the molecular formula C6H13NaO4S and a molecular weight of 204.22 g/mol. Its IUPAC name is sodium;hydride;propyl oxiran-2-ylmethanesulfonate.

Molecular Properties

Compound Namesodium;hydride;propyl oxiran-2-ylmethanesulfonate
PubChem CID174960442
Molecular FormulaC6H13NaO4S
Molecular Weight204.22 g/mol
Exact Mass204.04
IUPAC Namesodium;hydride;propyl oxiran-2-ylmethanesulfonate
SMILESCCCOS(=O)(=O)CC1CO1.[H-].[Na+]
InChIInChI=1S/C6H12O4S.Na.H/c1-2-3-10-11(7,8)5-6-4-9-6;;/h6H,2-5H2,1H3;;/q;+1;-1
InChIKeyXLTLHKABTBVKEQ-UHFFFAOYSA-N
XLogP-2.74
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze sodium;hydride;propyl oxiran-2-ylmethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propoxy oxiran-2-ylmethanesulfonate
CID 151059026
ethyl oxetan-2-ylmethanesulfonate
CID 91340931
hexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
CID 87125752
propyl 2-aminoethanesulfonate
CID 54028272
tetrakis(2-ethyloxirane);methane
CID 162010408
2-(propoxymethyl)oxirane
CID 18406
propyl butane-1-sulfonate
CID 12843900
2-(oxiran-2-yl)ethyl methanesulfonate
CID 12689934
(2R,5R)-2,5-bis(octylsulfonylmethyl)-1,4-dioxane
CID 98082915
ethane;2-ethyloxirane;hexane
CID 91113410
2-(propylperoxymethyl)oxirane
CID 54276351
propyl 2-cyano-3-(oxiran-2-ylmethyl)-2H-imidazole-1-sulfonate
CID 174963630

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;propyl oxiran-2-ylmethanesulfonate?
The IUPAC name of sodium;hydride;propyl oxiran-2-ylmethanesulfonate (CID 174960442) is sodium;hydride;propyl oxiran-2-ylmethanesulfonate.
What is the SMILES notation for sodium;hydride;propyl oxiran-2-ylmethanesulfonate?
The canonical SMILES for sodium;hydride;propyl oxiran-2-ylmethanesulfonate is CCCOS(=O)(=O)CC1CO1.[H-].[Na+].
What is the InChIKey of sodium;hydride;propyl oxiran-2-ylmethanesulfonate?
The InChIKey is XLTLHKABTBVKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S.Na.H/c1-2-3-10-11(7,8)5-6-4-9-6;;/h6H,2-5H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;propyl oxiran-2-ylmethanesulfonate?
sodium;hydride;propyl oxiran-2-ylmethanesulfonate has a molecular weight of 204.22 g/mol, XLogP of -2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;propyl oxiran-2-ylmethanesulfonate is sourced from PubChem (CID 174960442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).