sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate

C5H14NNaO4S — CID 175347069

IUPACsodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate
SMILESCC(O)COS(=O)(=O)CCN.[H-].[Na+]
InChIInChI=1S/C5H13NO4S.Na.H/c1-5(7)4-10-11(8,9)3-2-6;;/h5,7H,2-4,6H2,1H3;;/q;+1;-1
InChIKeyDUHSSWNSOXDTJJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP-4.21
Rot. Bonds5

About sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate

sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate (PubChem CID 175347069) has the molecular formula C5H14NNaO4S and a molecular weight of 207.23 g/mol. Its IUPAC name is sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate.

Molecular Properties

Compound Namesodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate
PubChem CID175347069
Molecular FormulaC5H14NNaO4S
Molecular Weight207.23 g/mol
Exact Mass207.05
IUPAC Namesodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate
SMILESCC(O)COS(=O)(=O)CCN.[H-].[Na+]
InChIInChI=1S/C5H13NO4S.Na.H/c1-5(7)4-10-11(8,9)3-2-6;;/h5,7H,2-4,6H2,1H3;;/q;+1;-1
InChIKeyDUHSSWNSOXDTJJ-UHFFFAOYSA-N
XLogP-4.21
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-4.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxypropyl) sulfate
CID 175252820
hydroxymethyl 2-aminoethanesulfonate
CID 54486591
sodium;2-aminopropyl hydroxymethanesulfonate;hydride
CID 173101119
propyl 2-aminoethanesulfonate
CID 54028272
sodium 2-aminoethylsulfonyl carbonate
CID 174662764
2-aminoethylsulfonyl 2-propylpentanoate
CID 91070994
3-aminopropylsulfonyl 2-hydroxypropanoate;ethane-1,2-diamine
CID 175285928
2-aminoethylsulfonyl 2-methyldodecanoate
CID 175407846
2-aminoethylsulfonyl 2,2-diaminopropanoate
CID 87807232
sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate
CID 175132943
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
CID 175022763

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate?
The IUPAC name of sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate (CID 175347069) is sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate.
What is the SMILES notation for sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate?
The canonical SMILES for sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate is CC(O)COS(=O)(=O)CCN.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate?
The InChIKey is DUHSSWNSOXDTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S.Na.H/c1-5(7)4-10-11(8,9)3-2-6;;/h5,7H,2-4,6H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate?
sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate has a molecular weight of 207.23 g/mol, XLogP of -4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate is sourced from PubChem (CID 175347069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).