bis(2-hydroxyethyl)sulfamic acid

C4H11NO5S — CID 3123586

IUPACbis(2-hydroxyethyl)sulfamic acid
SMILESO=S(=O)(O)N(CCO)CCO
InChIInChI=1S/C4H11NO5S/c6-3-1-5(2-4-7)11(8,9)10/h6-7H,1-4H2,(H,8,9,10)
InChIKeyQOFBKJJGYDCVLZ-UHFFFAOYSA-N
MW185.20 g/mol
LogP-1.92
Rot. Bonds5

About bis(2-hydroxyethyl)sulfamic acid

bis(2-hydroxyethyl)sulfamic acid (PubChem CID 3123586) has the molecular formula C4H11NO5S and a molecular weight of 185.20 g/mol. Its IUPAC name is bis(2-hydroxyethyl)sulfamic acid.

Molecular Properties

Compound Namebis(2-hydroxyethyl)sulfamic acid
PubChem CID3123586
Molecular FormulaC4H11NO5S
Molecular Weight185.20 g/mol
Exact Mass185.04
IUPAC Namebis(2-hydroxyethyl)sulfamic acid
SMILESO=S(=O)(O)N(CCO)CCO
InChIInChI=1S/C4H11NO5S/c6-3-1-5(2-4-7)11(8,9)10/h6-7H,1-4H2,(H,8,9,10)
InChIKeyQOFBKJJGYDCVLZ-UHFFFAOYSA-N
XLogP-1.92
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 bis(2-hydroxyethyl)sulfamic acid?
The IUPAC name of bis(2-hydroxyethyl)sulfamic acid (CID 3123586) is bis(2-hydroxyethyl)sulfamic acid.
What is the SMILES notation for bis(2-hydroxyethyl)sulfamic acid?
The canonical SMILES for bis(2-hydroxyethyl)sulfamic acid is O=S(=O)(O)N(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)sulfamic acid?
The InChIKey is QOFBKJJGYDCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5S/c6-3-1-5(2-4-7)11(8,9)10/h6-7H,1-4H2,(H,8,9,10).
What are the key properties of bis(2-hydroxyethyl)sulfamic acid?
bis(2-hydroxyethyl)sulfamic acid has a molecular weight of 185.20 g/mol, XLogP of -1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)sulfamic acid is sourced from PubChem (CID 3123586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).