N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide

C14H22N2O2S — CID 165343830

IUPACN-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
SMILESCCC(=NNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-6-13(14(3,4)5)15-16-19(17,18)12-9-7-11(2)8-10-12/h7-10,16H,6H2,1-5H3
InChIKeyQWEDNFJRCQBXHX-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.09
Rot. Bonds4

About N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide

N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide (PubChem CID 165343830) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
PubChem CID165343830
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
SMILESCCC(=NNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-6-13(14(3,4)5)15-16-19(17,18)12-9-7-11(2)8-10-12/h7-10,16H,6H2,1-5H3
InChIKeyQWEDNFJRCQBXHX-UHFFFAOYSA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide
CID 143285935
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
dimethyl 2-[(4-methylphenyl)sulfonylhydrazinylidene]butanedioate
CID 2798179
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide
CID 175236045
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 135592238
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide (CID 165343830) is N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide is CCC(=NNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide?
The InChIKey is QWEDNFJRCQBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-6-13(14(3,4)5)15-16-19(17,18)12-9-7-11(2)8-10-12/h7-10,16H,6H2,1-5H3.
What are the key properties of N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide?
N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide is sourced from PubChem (CID 165343830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).