2-hydroxyethyl(thian-4-yl)sulfamic acid

C7H15NO4S2 — CID 67467246

IUPAC2-hydroxyethyl(thian-4-yl)sulfamic acid
SMILESO=S(=O)(O)N(CCO)C1CCSCC1
InChIInChI=1S/C7H15NO4S2/c9-4-3-8(14(10,11)12)7-1-5-13-6-2-7/h7,9H,1-6H2,(H,10,11,12)
InChIKeyFUTKLAMDHJYJFM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.02
Rot. Bonds4

About 2-hydroxyethyl(thian-4-yl)sulfamic acid

2-hydroxyethyl(thian-4-yl)sulfamic acid (PubChem CID 67467246) has the molecular formula C7H15NO4S2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-hydroxyethyl(thian-4-yl)sulfamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(thian-4-yl)sulfamic acid
PubChem CID67467246
Molecular FormulaC7H15NO4S2
Molecular Weight241.33 g/mol
Exact Mass241.04
IUPAC Name2-hydroxyethyl(thian-4-yl)sulfamic acid
SMILESO=S(=O)(O)N(CCO)C1CCSCC1
InChIInChI=1S/C7H15NO4S2/c9-4-3-8(14(10,11)12)7-1-5-13-6-2-7/h7,9H,1-6H2,(H,10,11,12)
InChIKeyFUTKLAMDHJYJFM-UHFFFAOYSA-N
XLogP-0.02
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
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(thian-4-yl)sulfamic acid?
The IUPAC name of 2-hydroxyethyl(thian-4-yl)sulfamic acid (CID 67467246) is 2-hydroxyethyl(thian-4-yl)sulfamic acid.
What is the SMILES notation for 2-hydroxyethyl(thian-4-yl)sulfamic acid?
The canonical SMILES for 2-hydroxyethyl(thian-4-yl)sulfamic acid is O=S(=O)(O)N(CCO)C1CCSCC1.
What is the InChIKey of 2-hydroxyethyl(thian-4-yl)sulfamic acid?
The InChIKey is FUTKLAMDHJYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S2/c9-4-3-8(14(10,11)12)7-1-5-13-6-2-7/h7,9H,1-6H2,(H,10,11,12).
What are the key properties of 2-hydroxyethyl(thian-4-yl)sulfamic acid?
2-hydroxyethyl(thian-4-yl)sulfamic acid has a molecular weight of 241.33 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(thian-4-yl)sulfamic acid is sourced from PubChem (CID 67467246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).