1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene

C12H18N2O2S — CID 102497387

IUPAC1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene
SMILESCc1ccc(C=NS(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2S/c1-10-5-7-11(8-6-10)9-13-17(15,16)14-12(2,3)4/h5-9,14H,1-4H3
InChIKeyORBVQCWVVCVIBQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.05
Rot. Bonds3

About 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene

1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene (PubChem CID 102497387) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene
PubChem CID102497387
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene
SMILESCc1ccc(C=NS(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2S/c1-10-5-7-11(8-6-10)9-13-17(15,16)14-12(2,3)4/h5-9,14H,1-4H3
InChIKeyORBVQCWVVCVIBQ-UHFFFAOYSA-N
XLogP2.05
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4-methylphenyl)methylideneamino]sulfamic acid
CID 131859367
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
5-tert-butyl-2-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515953
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
2-[(4-methylphenyl)methylideneamino]sulfonylbenzoic acid
CID 70919615
[4-(4-methylphenyl)phenyl]methylidenehydrazine
CID 154945808
1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
CID 10617583
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 110516894
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene?
The IUPAC name of 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene (CID 102497387) is 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene.
What is the SMILES notation for 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene?
The canonical SMILES for 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene is Cc1ccc(C=NS(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene?
The InChIKey is ORBVQCWVVCVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-5-7-11(8-6-10)9-13-17(15,16)14-12(2,3)4/h5-9,14H,1-4H3.
What are the key properties of 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene?
1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene has a molecular weight of 254.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene is sourced from PubChem (CID 102497387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).