sodium;2-aminopropyl hydroxymethanesulfonate;hydride

C4H12NNaO4S — CID 173101119

IUPACsodium;2-aminopropyl hydroxymethanesulfonate;hydride
SMILESCC(N)COS(=O)(=O)CO.[H-].[Na+]
InChIInChI=1S/C4H11NO4S.Na.H/c1-4(5)2-9-10(7,8)3-6;;/h4,6H,2-3,5H2,1H3;;/q;+1;-1
InChIKeyKLCWABHCRHSWNX-UHFFFAOYSA-N
MW193.20 g/mol
LogP-4.25
Rot. Bonds4

About sodium;2-aminopropyl hydroxymethanesulfonate;hydride

sodium;2-aminopropyl hydroxymethanesulfonate;hydride (PubChem CID 173101119) has the molecular formula C4H12NNaO4S and a molecular weight of 193.20 g/mol. Its IUPAC name is sodium;2-aminopropyl hydroxymethanesulfonate;hydride.

Molecular Properties

Compound Namesodium;2-aminopropyl hydroxymethanesulfonate;hydride
PubChem CID173101119
Molecular FormulaC4H12NNaO4S
Molecular Weight193.20 g/mol
Exact Mass193.04
IUPAC Namesodium;2-aminopropyl hydroxymethanesulfonate;hydride
SMILESCC(N)COS(=O)(=O)CO.[H-].[Na+]
InChIInChI=1S/C4H11NO4S.Na.H/c1-4(5)2-9-10(7,8)3-6;;/h4,6H,2-3,5H2,1H3;;/q;+1;-1
InChIKeyKLCWABHCRHSWNX-UHFFFAOYSA-N
XLogP-4.25
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-4.25
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

sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate
CID 175347069
potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
CID 175022763
2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
(2-amino-4-methylpentyl) hydrogen sulfate
CID 73425010
(3-hydroxy-2-methylpropyl) hydrogen sulfate
CID 91275224
2-methylpropyl methylsulfonylmethanesulfonate
CID 177304601
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
2-hydroxyethyl 1-amino-2-hydroxypropane-1-sulfonate
CID 163896631
2-aminopropan-1-ol;hydrofluoride
CID 22617394
2-methylpropyl sulfamate
CID 10219546

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminopropyl hydroxymethanesulfonate;hydride?
The IUPAC name of sodium;2-aminopropyl hydroxymethanesulfonate;hydride (CID 173101119) is sodium;2-aminopropyl hydroxymethanesulfonate;hydride.
What is the SMILES notation for sodium;2-aminopropyl hydroxymethanesulfonate;hydride?
The canonical SMILES for sodium;2-aminopropyl hydroxymethanesulfonate;hydride is CC(N)COS(=O)(=O)CO.[H-].[Na+].
What is the InChIKey of sodium;2-aminopropyl hydroxymethanesulfonate;hydride?
The InChIKey is KLCWABHCRHSWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S.Na.H/c1-4(5)2-9-10(7,8)3-6;;/h4,6H,2-3,5H2,1H3;;/q;+1;-1.
What are the key properties of sodium;2-aminopropyl hydroxymethanesulfonate;hydride?
sodium;2-aminopropyl hydroxymethanesulfonate;hydride has a molecular weight of 193.20 g/mol, XLogP of -4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminopropyl hydroxymethanesulfonate;hydride is sourced from PubChem (CID 173101119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).