sodium (2-hydroxypropylamino)methanesulfonate

C4H10NNaO4S — CID 23690017

IUPACsodium (2-hydroxypropylamino)methanesulfonate
SMILESCC(O)CNCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO4S.Na/c1-4(6)2-5-3-10(7,8)9;/h4-6H,2-3H2,1H3,(H,7,8,9);/q;+1/p-1
InChIKeyVYAFXZJMJGOSSJ-UHFFFAOYSA-M
MW191.18 g/mol
LogP-4.54
Rot. Bonds4

About sodium (2-hydroxypropylamino)methanesulfonate

sodium (2-hydroxypropylamino)methanesulfonate (PubChem CID 23690017) has the molecular formula C4H10NNaO4S and a molecular weight of 191.18 g/mol. Its IUPAC name is sodium (2-hydroxypropylamino)methanesulfonate.

Molecular Properties

Compound Namesodium (2-hydroxypropylamino)methanesulfonate
PubChem CID23690017
Molecular FormulaC4H10NNaO4S
Molecular Weight191.18 g/mol
Exact Mass191.02
IUPAC Namesodium (2-hydroxypropylamino)methanesulfonate
SMILESCC(O)CNCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO4S.Na/c1-4(6)2-5-3-10(7,8)9;/h4-6H,2-3H2,1H3,(H,7,8,9);/q;+1/p-1
InChIKeyVYAFXZJMJGOSSJ-UHFFFAOYSA-M
XLogP-4.54
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-4.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium (2-hydroxypropylamino)methanesulfonate?
The IUPAC name of sodium (2-hydroxypropylamino)methanesulfonate (CID 23690017) is sodium (2-hydroxypropylamino)methanesulfonate.
What is the SMILES notation for sodium (2-hydroxypropylamino)methanesulfonate?
The canonical SMILES for sodium (2-hydroxypropylamino)methanesulfonate is CC(O)CNCS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium (2-hydroxypropylamino)methanesulfonate?
The InChIKey is VYAFXZJMJGOSSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO4S.Na/c1-4(6)2-5-3-10(7,8)9;/h4-6H,2-3H2,1H3,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium (2-hydroxypropylamino)methanesulfonate?
sodium (2-hydroxypropylamino)methanesulfonate has a molecular weight of 191.18 g/mol, XLogP of -4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-hydroxypropylamino)methanesulfonate is sourced from PubChem (CID 23690017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).