4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide

C15H25N3O2S — CID 175236045

IUPAC4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide
SMILESCCC(CC)CCC(N)=NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25N3O2S/c1-4-13(5-2)8-11-15(16)17-18-21(19,20)14-9-6-12(3)7-10-14/h6-7,9-10,13,18H,4-5,8,11H2,1-3H3,(H2,16,17)
InChIKeySDNTWZVWSCYXJW-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.76
Rot. Bonds8

About 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide

4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide (PubChem CID 175236045) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide.

Molecular Properties

Compound Name4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide
PubChem CID175236045
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide
SMILESCCC(CC)CCC(N)=NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25N3O2S/c1-4-13(5-2)8-11-15(16)17-18-21(19,20)14-9-6-12(3)7-10-14/h6-7,9-10,13,18H,4-5,8,11H2,1-3H3,(H2,16,17)
InChIKeySDNTWZVWSCYXJW-UHFFFAOYSA-N
XLogP2.76
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.76
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1,1-dichlorobutan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 11278280
N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
CID 165343830
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
dimethyl 2-[(4-methylphenyl)sulfonylhydrazinylidene]butanedioate
CID 2798179
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
CID 5192357
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
4-methylbenzenesulfonohydrazide
CID 15303
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide?
The IUPAC name of 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide (CID 175236045) is 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide.
What is the SMILES notation for 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide?
The canonical SMILES for 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide is CCC(CC)CCC(N)=NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide?
The InChIKey is SDNTWZVWSCYXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-13(5-2)8-11-15(16)17-18-21(19,20)14-9-6-12(3)7-10-14/h6-7,9-10,13,18H,4-5,8,11H2,1-3H3,(H2,16,17).
What are the key properties of 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide?
4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide has a molecular weight of 311.45 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide is sourced from PubChem (CID 175236045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).