thiophen-2-ylmethylsulfamoyl hydrogen carbonate

C6H7NO5S2 — CID 87191935

IUPACthiophen-2-ylmethylsulfamoyl hydrogen carbonate
SMILESO=C(O)OS(=O)(=O)NCc1cccs1
InChIInChI=1S/C6H7NO5S2/c8-6(9)12-14(10,11)7-4-5-2-1-3-13-5/h1-3,7H,4H2,(H,8,9)
InChIKeyNXEPAKDZBQFZBO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.78
Rot. Bonds4

About thiophen-2-ylmethylsulfamoyl hydrogen carbonate

thiophen-2-ylmethylsulfamoyl hydrogen carbonate (PubChem CID 87191935) has the molecular formula C6H7NO5S2 and a molecular weight of 237.26 g/mol. Its IUPAC name is thiophen-2-ylmethylsulfamoyl hydrogen carbonate.

Molecular Properties

Compound Namethiophen-2-ylmethylsulfamoyl hydrogen carbonate
PubChem CID87191935
Molecular FormulaC6H7NO5S2
Molecular Weight237.26 g/mol
Exact Mass236.98
IUPAC Namethiophen-2-ylmethylsulfamoyl hydrogen carbonate
SMILESO=C(O)OS(=O)(=O)NCc1cccs1
InChIInChI=1S/C6H7NO5S2/c8-6(9)12-14(10,11)7-4-5-2-1-3-13-5/h1-3,7H,4H2,(H,8,9)
InChIKeyNXEPAKDZBQFZBO-UHFFFAOYSA-N
XLogP0.78
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethylsulfamoyl hydrogen carbonate?
The IUPAC name of thiophen-2-ylmethylsulfamoyl hydrogen carbonate (CID 87191935) is thiophen-2-ylmethylsulfamoyl hydrogen carbonate.
What is the SMILES notation for thiophen-2-ylmethylsulfamoyl hydrogen carbonate?
The canonical SMILES for thiophen-2-ylmethylsulfamoyl hydrogen carbonate is O=C(O)OS(=O)(=O)NCc1cccs1.
What is the InChIKey of thiophen-2-ylmethylsulfamoyl hydrogen carbonate?
The InChIKey is NXEPAKDZBQFZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5S2/c8-6(9)12-14(10,11)7-4-5-2-1-3-13-5/h1-3,7H,4H2,(H,8,9).
What are the key properties of thiophen-2-ylmethylsulfamoyl hydrogen carbonate?
thiophen-2-ylmethylsulfamoyl hydrogen carbonate has a molecular weight of 237.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethylsulfamoyl hydrogen carbonate is sourced from PubChem (CID 87191935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).