2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

C15H26N2O2S — CID 115302721

IUPAC2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H26N2O2S/c1-10(8-16-6)9-17-20(18,19)15-13(4)11(2)7-12(3)14(15)5/h7,10,16-17H,8-9H2,1-6H3
InChIKeyRHMNBVBCCQXWPZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.05
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (PubChem CID 115302721) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
PubChem CID115302721
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H26N2O2S/c1-10(8-16-6)9-17-20(18,19)15-13(4)11(2)7-12(3)14(15)5/h7,10,16-17H,8-9H2,1-6H3
InChIKeyRHMNBVBCCQXWPZ-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 103836871
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
2-methyl-N-[2-methyl-3-(methylamino)propyl]-6-nitrobenzenesulfonamide
CID 115302908
2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
CID 99852828
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
(3S)-3-phenyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 7044554

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (CID 115302721) is 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is CNCC(C)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is RHMNBVBCCQXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-10(8-16-6)9-17-20(18,19)15-13(4)11(2)7-12(3)14(15)5/h7,10,16-17H,8-9H2,1-6H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 115302721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).