2-thiophen-2-ylsulfonylguanidine

C5H7N3O2S2 — CID 10679763

IUPAC2-thiophen-2-ylsulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cccs1
InChIInChI=1S/C5H7N3O2S2/c6-5(7)8-12(9,10)4-2-1-3-11-4/h1-3H,(H4,6,7,8)
InChIKeyKOFPTIINQKYLRU-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.29
Rot. Bonds2

About 2-thiophen-2-ylsulfonylguanidine

2-thiophen-2-ylsulfonylguanidine (PubChem CID 10679763) has the molecular formula C5H7N3O2S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfonylguanidine.

Molecular Properties

Compound Name2-thiophen-2-ylsulfonylguanidine
PubChem CID10679763
Molecular FormulaC5H7N3O2S2
Molecular Weight205.26 g/mol
Exact Mass205.00
IUPAC Name2-thiophen-2-ylsulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cccs1
InChIInChI=1S/C5H7N3O2S2/c6-5(7)8-12(9,10)4-2-1-3-11-4/h1-3H,(H4,6,7,8)
InChIKeyKOFPTIINQKYLRU-UHFFFAOYSA-N
XLogP-0.29
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfonylguanidine?
The IUPAC name of 2-thiophen-2-ylsulfonylguanidine (CID 10679763) is 2-thiophen-2-ylsulfonylguanidine.
What is the SMILES notation for 2-thiophen-2-ylsulfonylguanidine?
The canonical SMILES for 2-thiophen-2-ylsulfonylguanidine is NC(N)=NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfonylguanidine?
The InChIKey is KOFPTIINQKYLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S2/c6-5(7)8-12(9,10)4-2-1-3-11-4/h1-3H,(H4,6,7,8).
What are the key properties of 2-thiophen-2-ylsulfonylguanidine?
2-thiophen-2-ylsulfonylguanidine has a molecular weight of 205.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfonylguanidine is sourced from PubChem (CID 10679763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).