N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide

C14H24N2O2S — CID 106335145

IUPACN,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
SMILESCc1cc(C)c(CNCCS(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C14H24N2O2S/c1-11-8-13(3)14(9-12(11)2)10-15-6-7-19(17,18)16(4)5/h8-9,15H,6-7,10H2,1-5H3
InChIKeyHZRVXILIBYRCME-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.59
Rot. Bonds6

About N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide

N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide (PubChem CID 106335145) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
PubChem CID106335145
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
SMILESCc1cc(C)c(CNCCS(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C14H24N2O2S/c1-11-8-13(3)14(9-12(11)2)10-15-6-7-19(17,18)16(4)5/h8-9,15H,6-7,10H2,1-5H3
InChIKeyHZRVXILIBYRCME-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
CID 106334922
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62635925
2-[(6,8-dimethyl-2-oxochromen-4-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 50955316
N,N-dimethyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanesulfonamide
CID 106335376
2-[(4-bromo-2-nitrophenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335284
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
2-[(4-tert-butylphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335316
2-[(6-chloro-1H-indol-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335391
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335720
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
CID 43220475
2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 114175013

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide (CID 106335145) is N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide is Cc1cc(C)c(CNCCS(=O)(=O)N(C)C)cc1C.
What is the InChIKey of N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide?
The InChIKey is HZRVXILIBYRCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-8-13(3)14(9-12(11)2)10-15-6-7-19(17,18)16(4)5/h8-9,15H,6-7,10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide?
N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 106335145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).