2-pentan-2-ylsulfonylguanidine

C6H15N3O2S — CID 163517914

IUPAC2-pentan-2-ylsulfonylguanidine
SMILESCCCC(C)S(=O)(=O)N=C(N)N
InChIInChI=1S/C6H15N3O2S/c1-3-4-5(2)12(10,11)9-6(7)8/h5H,3-4H2,1-2H3,(H4,7,8,9)
InChIKeyDIIMQROPHZHBNS-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.22
Rot. Bonds4

About 2-pentan-2-ylsulfonylguanidine

2-pentan-2-ylsulfonylguanidine (PubChem CID 163517914) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-pentan-2-ylsulfonylguanidine.

Molecular Properties

Compound Name2-pentan-2-ylsulfonylguanidine
PubChem CID163517914
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name2-pentan-2-ylsulfonylguanidine
SMILESCCCC(C)S(=O)(=O)N=C(N)N
InChIInChI=1S/C6H15N3O2S/c1-3-4-5(2)12(10,11)9-6(7)8/h5H,3-4H2,1-2H3,(H4,7,8,9)
InChIKeyDIIMQROPHZHBNS-UHFFFAOYSA-N
XLogP-0.22
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pentan-2-ylsulfonylguanidine?
The IUPAC name of 2-pentan-2-ylsulfonylguanidine (CID 163517914) is 2-pentan-2-ylsulfonylguanidine.
What is the SMILES notation for 2-pentan-2-ylsulfonylguanidine?
The canonical SMILES for 2-pentan-2-ylsulfonylguanidine is CCCC(C)S(=O)(=O)N=C(N)N.
What is the InChIKey of 2-pentan-2-ylsulfonylguanidine?
The InChIKey is DIIMQROPHZHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-3-4-5(2)12(10,11)9-6(7)8/h5H,3-4H2,1-2H3,(H4,7,8,9).
What are the key properties of 2-pentan-2-ylsulfonylguanidine?
2-pentan-2-ylsulfonylguanidine has a molecular weight of 193.27 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylsulfonylguanidine is sourced from PubChem (CID 163517914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).