methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium

C14H23N2O2S+ — CID 123201963

IUPACmethyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium
SMILESC=[N+](C)C(C)(CC)CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H23N2O2S/c1-6-14(3,16(4)5)11-15-19(17,18)13-10-8-7-9-12(13)2/h7-10,15H,4,6,11H2,1-3,5H3/q+1
InChIKeyBPXQMXDTEXBPSG-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.78
Rot. Bonds6

About methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium

methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium (PubChem CID 123201963) has the molecular formula C14H23N2O2S+ and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium
PubChem CID123201963
Molecular FormulaC14H23N2O2S+
Molecular Weight283.42 g/mol
Exact Mass283.15
IUPAC Namemethyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium
SMILESC=[N+](C)C(C)(CC)CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H23N2O2S/c1-6-14(3,16(4)5)11-15-19(17,18)13-10-8-7-9-12(13)2/h7-10,15H,4,6,11H2,1-3,5H3/q+1
InChIKeyBPXQMXDTEXBPSG-UHFFFAOYSA-N
XLogP1.78
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79556754
N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
2-methyl-N-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)benzenesulfonamide
CID 135309655
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107868257

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium?
The IUPAC name of methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium (CID 123201963) is methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium.
What is the SMILES notation for methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium?
The canonical SMILES for methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium is C=[N+](C)C(C)(CC)CNS(=O)(=O)c1ccccc1C.
What is the InChIKey of methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium?
The InChIKey is BPXQMXDTEXBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O2S/c1-6-14(3,16(4)5)11-15-19(17,18)13-10-8-7-9-12(13)2/h7-10,15H,4,6,11H2,1-3,5H3/q+1.
What are the key properties of methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium?
methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium has a molecular weight of 283.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium is sourced from PubChem (CID 123201963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).