4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide

C10H14N2O2S — CID 3448478

IUPAC4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
SMILESC=NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H14N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-7-11-2/h3-6,12H,2,7-8H2,1H3
InChIKeyYUDDQNUHARXUAG-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.97
Rot. Bonds5

About 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide

4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide (PubChem CID 3448478) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
PubChem CID3448478
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
SMILESC=NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H14N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-7-11-2/h3-6,12H,2,7-8H2,1H3
InChIKeyYUDDQNUHARXUAG-UHFFFAOYSA-N
XLogP0.97
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043760
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide (CID 3448478) is 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide is C=NCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide?
The InChIKey is YUDDQNUHARXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-7-11-2/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide?
4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 3448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).