pentylsulfonylurea

C6H14N2O3S — CID 87232196

IUPACpentylsulfonylurea
SMILESCCCCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C6H14N2O3S/c1-2-3-4-5-12(10,11)8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
InChIKeyHLKLVEFZCLHBKD-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.17
Rot. Bonds5

About pentylsulfonylurea

pentylsulfonylurea (PubChem CID 87232196) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is pentylsulfonylurea.

Molecular Properties

Compound Namepentylsulfonylurea
PubChem CID87232196
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Namepentylsulfonylurea
SMILESCCCCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C6H14N2O3S/c1-2-3-4-5-12(10,11)8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
InChIKeyHLKLVEFZCLHBKD-UHFFFAOYSA-N
XLogP0.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentylsulfonylurea?
The IUPAC name of pentylsulfonylurea (CID 87232196) is pentylsulfonylurea.
What is the SMILES notation for pentylsulfonylurea?
The canonical SMILES for pentylsulfonylurea is CCCCCS(=O)(=O)NC(N)=O.
What is the InChIKey of pentylsulfonylurea?
The InChIKey is HLKLVEFZCLHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-2-3-4-5-12(10,11)8-6(7)9/h2-5H2,1H3,(H3,7,8,9).
What are the key properties of pentylsulfonylurea?
pentylsulfonylurea has a molecular weight of 194.26 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentylsulfonylurea is sourced from PubChem (CID 87232196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).