2-hydroxyethyl(3-hydroxypropyl)sulfamic acid

C5H13NO5S — CID 175219655

IUPAC2-hydroxyethyl(3-hydroxypropyl)sulfamic acid
SMILESO=S(=O)(O)N(CCO)CCCO
InChIInChI=1S/C5H13NO5S/c7-4-1-2-6(3-5-8)12(9,10)11/h7-8H,1-5H2,(H,9,10,11)
InChIKeyBFQRJYKDOAXNSR-UHFFFAOYSA-N
MW199.23 g/mol
LogP-1.53
Rot. Bonds6

About 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid

2-hydroxyethyl(3-hydroxypropyl)sulfamic acid (PubChem CID 175219655) has the molecular formula C5H13NO5S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(3-hydroxypropyl)sulfamic acid
PubChem CID175219655
Molecular FormulaC5H13NO5S
Molecular Weight199.23 g/mol
Exact Mass199.05
IUPAC Name2-hydroxyethyl(3-hydroxypropyl)sulfamic acid
SMILESO=S(=O)(O)N(CCO)CCCO
InChIInChI=1S/C5H13NO5S/c7-4-1-2-6(3-5-8)12(9,10)11/h7-8H,1-5H2,(H,9,10,11)
InChIKeyBFQRJYKDOAXNSR-UHFFFAOYSA-N
XLogP-1.53
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-1.53
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 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid?
The IUPAC name of 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid (CID 175219655) is 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid.
What is the SMILES notation for 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid?
The canonical SMILES for 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid is O=S(=O)(O)N(CCO)CCCO.
What is the InChIKey of 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid?
The InChIKey is BFQRJYKDOAXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5S/c7-4-1-2-6(3-5-8)12(9,10)11/h7-8H,1-5H2,(H,9,10,11).
What are the key properties of 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid?
2-hydroxyethyl(3-hydroxypropyl)sulfamic acid has a molecular weight of 199.23 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(3-hydroxypropyl)sulfamic acid is sourced from PubChem (CID 175219655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).