N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane

C14H26N2O2S — CID 90756496

IUPACN-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
SMILESCC.CNc1cccc(S(=O)(=O)NC(C)(C)C)c1C
InChIInChI=1S/C12H20N2O2S.C2H6/c1-9-10(13-5)7-6-8-11(9)17(15,16)14-12(2,3)4;1-2/h6-8,13-14H,1-5H3;1-2H3
InChIKeyODGWEIWNTQUKPN-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.14
Rot. Bonds3

About N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane

N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane (PubChem CID 90756496) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
PubChem CID90756496
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
SMILESCC.CNc1cccc(S(=O)(=O)NC(C)(C)C)c1C
InChIInChI=1S/C12H20N2O2S.C2H6/c1-9-10(13-5)7-6-8-11(9)17(15,16)14-12(2,3)4;1-2/h6-8,13-14H,1-5H3;1-2H3
InChIKeyODGWEIWNTQUKPN-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
CID 120635238
3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
CID 120611166
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
N-tert-butyl-3-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]methylamino]-2-methylbenzenesulfonamide
CID 167861592
(2S,5R)-5-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120794541
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
CID 119798926
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane?
The IUPAC name of N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane (CID 90756496) is N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane?
The canonical SMILES for N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane is CC.CNc1cccc(S(=O)(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane?
The InChIKey is ODGWEIWNTQUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.C2H6/c1-9-10(13-5)7-6-8-11(9)17(15,16)14-12(2,3)4;1-2/h6-8,13-14H,1-5H3;1-2H3.
What are the key properties of N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane?
N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane has a molecular weight of 286.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane is sourced from PubChem (CID 90756496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).