4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide

C14H22N2O2SSi — CID 10781288

IUPAC4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/C2([Si](C)(C)C)CC2)cc1
InChIInChI=1S/C14H22N2O2SSi/c1-12-5-7-13(8-6-12)19(17,18)16-15-11-14(9-10-14)20(2,3)4/h5-8,11,16H,9-10H2,1-4H3/b15-11+
InChIKeyXNOIKPGGODULIF-RVDMUPIBSA-N
MW310.50 g/mol
LogP3.13
Rot. Bonds5

About 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide (PubChem CID 10781288) has the molecular formula C14H22N2O2SSi and a molecular weight of 310.50 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide
PubChem CID10781288
Molecular FormulaC14H22N2O2SSi
Molecular Weight310.50 g/mol
Exact Mass310.12
IUPAC Name4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/C2([Si](C)(C)C)CC2)cc1
InChIInChI=1S/C14H22N2O2SSi/c1-12-5-7-13(8-6-12)19(17,18)16-15-11-14(9-10-14)20(2,3)4/h5-8,11,16H,9-10H2,1-4H3/b15-11+
InChIKeyXNOIKPGGODULIF-RVDMUPIBSA-N
XLogP3.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,3-dimethoxy-1-methylcyclobutyl)methylideneamino]-4-methylbenzenesulfonamide
CID 172865741
methyl 3-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 164574195
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide
CID 170633196
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 1283271
tert-butyl N-[3-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 168861677
tert-butyl N-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 177092415
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide (CID 10781288) is 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/C2([Si](C)(C)C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide?
The InChIKey is XNOIKPGGODULIF-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H22N2O2SSi/c1-12-5-7-13(8-6-12)19(17,18)16-15-11-14(9-10-14)20(2,3)4/h5-8,11,16H,9-10H2,1-4H3/b15-11+.
What are the key properties of 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide has a molecular weight of 310.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 10781288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).