1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine

C14H24N4O2S — CID 111043760

IUPAC1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)14(15)16-10-11-17-21(19,20)13-8-6-12(3)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3,(H2,15,16)
InChIKeyAOMXGRHLKPLHND-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.93
Rot. Bonds7

About 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine

1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine (PubChem CID 111043760) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
PubChem CID111043760
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)14(15)16-10-11-17-21(19,20)13-8-6-12(3)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3,(H2,15,16)
InChIKeyAOMXGRHLKPLHND-UHFFFAOYSA-N
XLogP0.93
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 111062569
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
CID 3448478
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
1-tert-butyl-3-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110964568
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
2-hexyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043762
1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine
CID 136921879
1-ethyl-3-(2-methoxyethyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 110939524
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine (CID 111043760) is 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine is CCN(CC)/C(N)=N/CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine?
The InChIKey is AOMXGRHLKPLHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-18(5-2)14(15)16-10-11-17-21(19,20)13-8-6-12(3)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3,(H2,15,16).
What are the key properties of 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine?
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine has a molecular weight of 312.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine is sourced from PubChem (CID 111043760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).