N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide

C13H22N2O2S — CID 60824808

IUPACN-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-11(2)15(4)18(16,17)13-8-6-12(7-9-13)10-14-3/h6-9,11,14H,5,10H2,1-4H3
InChIKeyLMLLARHMOXNKQF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds6

About N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide

N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 60824808) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID60824808
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-11(2)15(4)18(16,17)13-8-6-12(7-9-13)10-14-3/h6-9,11,14H,5,10H2,1-4H3
InChIKeyLMLLARHMOXNKQF-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 104552576
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride
CID 43273019
2-[4-[butan-2-yl(methyl)sulfamoyl]phenyl]ethanethioamide
CID 79185920
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
2-bromo-N-butan-2-yl-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364120
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936304
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (CID 60824808) is N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1ccc(CNC)cc1.
What is the InChIKey of N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is LMLLARHMOXNKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-11(2)15(4)18(16,17)13-8-6-12(7-9-13)10-14-3/h6-9,11,14H,5,10H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60824808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).