3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

C15H26N2O2S — CID 59019327

IUPAC3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)13-8-7-9-14(12-13)20(18,19)17(6)11-10-16(4)5/h7-9,12H,10-11H2,1-6H3
InChIKeyJHBYUGGGOZXPBQ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.17
Rot. Bonds5

About 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (PubChem CID 59019327) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
PubChem CID59019327
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)13-8-7-9-14(12-13)20(18,19)17(6)11-10-16(4)5/h7-9,12H,10-11H2,1-6H3
InChIKeyJHBYUGGGOZXPBQ-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-ethyl-N-methylbenzenesulfonamide
CID 71155043
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120718024
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 63694828
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 63700705
3-tert-butylbenzenesulfonate
CID 22438691
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 39795004
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
sodium 3-tert-butylbenzenesulfonate
CID 176759035
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (CID 59019327) is 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is JHBYUGGGOZXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,3)13-8-7-9-14(12-13)20(18,19)17(6)11-10-16(4)5/h7-9,12H,10-11H2,1-6H3.
What are the key properties of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59019327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).