methyl(thiophen-3-yl)sulfamic acid

C5H7NO3S2 — CID 173391902

IUPACmethyl(thiophen-3-yl)sulfamic acid
SMILESCN(c1ccsc1)S(=O)(=O)O
InChIInChI=1S/C5H7NO3S2/c1-6(11(7,8)9)5-2-3-10-4-5/h2-4H,1H3,(H,7,8,9)
InChIKeyKPSHBSKAICTEEL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds2

About methyl(thiophen-3-yl)sulfamic acid

methyl(thiophen-3-yl)sulfamic acid (PubChem CID 173391902) has the molecular formula C5H7NO3S2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl(thiophen-3-yl)sulfamic acid.

Molecular Properties

Compound Namemethyl(thiophen-3-yl)sulfamic acid
PubChem CID173391902
Molecular FormulaC5H7NO3S2
Molecular Weight193.25 g/mol
Exact Mass192.99
IUPAC Namemethyl(thiophen-3-yl)sulfamic acid
SMILESCN(c1ccsc1)S(=O)(=O)O
InChIInChI=1S/C5H7NO3S2/c1-6(11(7,8)9)5-2-3-10-4-5/h2-4H,1H3,(H,7,8,9)
InChIKeyKPSHBSKAICTEEL-UHFFFAOYSA-N
XLogP0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl(thiophen-3-yl)sulfamic acid?
The IUPAC name of methyl(thiophen-3-yl)sulfamic acid (CID 173391902) is methyl(thiophen-3-yl)sulfamic acid.
What is the SMILES notation for methyl(thiophen-3-yl)sulfamic acid?
The canonical SMILES for methyl(thiophen-3-yl)sulfamic acid is CN(c1ccsc1)S(=O)(=O)O.
What is the InChIKey of methyl(thiophen-3-yl)sulfamic acid?
The InChIKey is KPSHBSKAICTEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S2/c1-6(11(7,8)9)5-2-3-10-4-5/h2-4H,1H3,(H,7,8,9).
What are the key properties of methyl(thiophen-3-yl)sulfamic acid?
methyl(thiophen-3-yl)sulfamic acid has a molecular weight of 193.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(thiophen-3-yl)sulfamic acid is sourced from PubChem (CID 173391902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).