N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide

C14H24N2O2S — CID 63202313

IUPACN,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
SMILESCNC(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)14(15-3)10-12-6-8-13(9-7-12)19(17,18)16(4)5/h6-9,11,14-15H,10H2,1-5H3
InChIKeyHGJSJHJTEMJRHZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.72
Rot. Bonds6

About N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide

N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide (PubChem CID 63202313) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
PubChem CID63202313
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
SMILESCNC(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)14(15-3)10-12-6-8-13(9-7-12)19(17,18)16(4)5/h6-9,11,14-15H,10H2,1-5H3
InChIKeyHGJSJHJTEMJRHZ-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
N,N-dimethyl-4-[1-[(3,4,5-trifluorophenyl)methylamino]ethyl]benzenesulfonamide
CID 119113191
4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
CID 63197602
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide (CID 63202313) is N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide is CNC(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)C.
What is the InChIKey of N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide?
The InChIKey is HGJSJHJTEMJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)14(15-3)10-12-6-8-13(9-7-12)19(17,18)16(4)5/h6-9,11,14-15H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide?
N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide is sourced from PubChem (CID 63202313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).