N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide

C16H26N2O2S — CID 70385286

IUPACN,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide
SMILESCCCC/C(=N\CC)N(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2S/c1-5-8-9-16(17-6-2)18(7-3)21(19,20)15-12-10-14(4)11-13-15/h10-13H,5-9H2,1-4H3/b17-16+
InChIKeyRJRNFKIMEFFTKN-WUKNDPDISA-N
MW310.46 g/mol
LogP3.61
Rot. Bonds7

About N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide

N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide (PubChem CID 70385286) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide
PubChem CID70385286
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide
SMILESCCCC/C(=N\CC)N(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2S/c1-5-8-9-16(17-6-2)18(7-3)21(19,20)15-12-10-14(4)11-13-15/h10-13H,5-9H2,1-4H3/b17-16+
InChIKeyRJRNFKIMEFFTKN-WUKNDPDISA-N
XLogP3.61
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
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 N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide?
The IUPAC name of N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide (CID 70385286) is N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide.
What is the SMILES notation for N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide?
The canonical SMILES for N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide is CCCC/C(=N\CC)N(CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide?
The InChIKey is RJRNFKIMEFFTKN-WUKNDPDISA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-8-9-16(17-6-2)18(7-3)21(19,20)15-12-10-14(4)11-13-15/h10-13H,5-9H2,1-4H3/b17-16+.
What are the key properties of N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide?
N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide has a molecular weight of 310.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide is sourced from PubChem (CID 70385286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).