N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide

C15H20N2O2S2 — CID 134973307

IUPACN-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCC(C)=C1SC(C)(C)/C1=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O2S2/c1-10(2)13-14(15(4,5)20-13)16-17-21(18,19)12-8-6-11(3)7-9-12/h6-9,17H,1-5H3/b16-14-
InChIKeyYQBRACNFEYZDJW-PEZBUJJGSA-N
MW324.47 g/mol
LogP3.45
Rot. Bonds3

About N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide

N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 134973307) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide
PubChem CID134973307
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCC(C)=C1SC(C)(C)/C1=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O2S2/c1-10(2)13-14(15(4,5)20-13)16-17-21(18,19)12-8-6-11(3)7-9-12/h6-9,17H,1-5H3/b16-14-
InChIKeyYQBRACNFEYZDJW-PEZBUJJGSA-N
XLogP3.45
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 6374487
N-[1-(1-adamantyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 561246
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
4-methyl-N-[[(1R,4R,6S,9S)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienylidene]amino]benzenesulfonamide
CID 98164119
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide (CID 134973307) is N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide is CC(C)=C1SC(C)(C)/C1=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is YQBRACNFEYZDJW-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10(2)13-14(15(4,5)20-13)16-17-21(18,19)12-8-6-11(3)7-9-12/h6-9,17H,1-5H3/b16-14-.
What are the key properties of N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide?
N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).