N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide

C15H26N2O2S — CID 8778480

IUPACN-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H](C)CN(C)C)c(C)c1
InChIInChI=1S/C15H26N2O2S/c1-11-7-13(3)15(14(4)8-11)20(18,19)16-9-12(2)10-17(5)6/h7-8,12,16H,9-10H2,1-6H3/t12-/m0/s1
InChIKeyHFZZPCUFOYDLPR-LBPRGKRZSA-N
MW298.45 g/mol
LogP2.09
Rot. Bonds6

About N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide

N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 8778480) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID8778480
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H](C)CN(C)C)c(C)c1
InChIInChI=1S/C15H26N2O2S/c1-11-7-13(3)15(14(4)8-11)20(18,19)16-9-12(2)10-17(5)6/h7-8,12,16H,9-10H2,1-6H3/t12-/m0/s1
InChIKeyHFZZPCUFOYDLPR-LBPRGKRZSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide
CID 15943552
N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide
CID 40793281
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113065655
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
N-(4-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 66108014
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide (CID 8778480) is N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC[C@H](C)CN(C)C)c(C)c1.
What is the InChIKey of N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HFZZPCUFOYDLPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11-7-13(3)15(14(4)8-11)20(18,19)16-9-12(2)10-17(5)6/h7-8,12,16H,9-10H2,1-6H3/t12-/m0/s1.
What are the key properties of N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 8778480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).