2-thiophen-2-ylethylsulfamic acid

C6H9NO3S2 — CID 10236136

IUPAC2-thiophen-2-ylethylsulfamic acid
SMILESO=S(=O)(O)NCCc1cccs1
InChIInChI=1S/C6H9NO3S2/c8-12(9,10)7-4-3-6-2-1-5-11-6/h1-2,5,7H,3-4H2,(H,8,9,10)
InChIKeyXZIIGNBEUDTQMW-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.68
Rot. Bonds4

About 2-thiophen-2-ylethylsulfamic acid

2-thiophen-2-ylethylsulfamic acid (PubChem CID 10236136) has the molecular formula C6H9NO3S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-thiophen-2-ylethylsulfamic acid.

Molecular Properties

Compound Name2-thiophen-2-ylethylsulfamic acid
PubChem CID10236136
Molecular FormulaC6H9NO3S2
Molecular Weight207.28 g/mol
Exact Mass207.00
IUPAC Name2-thiophen-2-ylethylsulfamic acid
SMILESO=S(=O)(O)NCCc1cccs1
InChIInChI=1S/C6H9NO3S2/c8-12(9,10)7-4-3-6-2-1-5-11-6/h1-2,5,7H,3-4H2,(H,8,9,10)
InChIKeyXZIIGNBEUDTQMW-UHFFFAOYSA-N
XLogP0.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
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 2-thiophen-2-ylethylsulfamic acid?
The IUPAC name of 2-thiophen-2-ylethylsulfamic acid (CID 10236136) is 2-thiophen-2-ylethylsulfamic acid.
What is the SMILES notation for 2-thiophen-2-ylethylsulfamic acid?
The canonical SMILES for 2-thiophen-2-ylethylsulfamic acid is O=S(=O)(O)NCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethylsulfamic acid?
The InChIKey is XZIIGNBEUDTQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S2/c8-12(9,10)7-4-3-6-2-1-5-11-6/h1-2,5,7H,3-4H2,(H,8,9,10).
What are the key properties of 2-thiophen-2-ylethylsulfamic acid?
2-thiophen-2-ylethylsulfamic acid has a molecular weight of 207.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethylsulfamic acid is sourced from PubChem (CID 10236136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).