N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide

C13H22N2O2S — CID 62008236

IUPACN-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)(C)CN)cc1C
InChIInChI=1S/C13H22N2O2S/c1-10-6-7-12(8-11(10)2)18(16,17)15(5)13(3,4)9-14/h6-8H,9,14H2,1-5H3
InChIKeyKELJKJAMRIUNBM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.66
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide (PubChem CID 62008236) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide
PubChem CID62008236
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)(C)CN)cc1C
InChIInChI=1S/C13H22N2O2S/c1-10-6-7-12(8-11(10)2)18(16,17)15(5)13(3,4)9-14/h6-8H,9,14H2,1-5H3
InChIKeyKELJKJAMRIUNBM-UHFFFAOYSA-N
XLogP1.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853145
5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
CID 115902665
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
3-[(3,4-dimethylphenyl)sulfonyl-methylamino]-2-methylpropanethioamide
CID 54991874
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119991822
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039
N-(1-amino-2-methylpropan-2-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 62007842
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
3-N-(1-hydroxy-2-methylpropan-2-yl)-3-N-methylbenzene-1,3-disulfonamide
CID 115902668

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide (CID 62008236) is N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)(C)CN)cc1C.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is KELJKJAMRIUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-6-7-12(8-11(10)2)18(16,17)15(5)13(3,4)9-14/h6-8H,9,14H2,1-5H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 62008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).