N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide

C14H24N2O2S — CID 79667869

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-16(11-14(3,4)10-15)19(17,18)13-8-6-7-12(2)9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyVAOXHLDMRKEGNW-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.99
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide (PubChem CID 79667869) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
PubChem CID79667869
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-16(11-14(3,4)10-15)19(17,18)13-8-6-7-12(2)9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyVAOXHLDMRKEGNW-UHFFFAOYSA-N
XLogP1.99
TPSA63.40 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
CID 142012161
N-(2-bromoethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 80676549
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 79668101
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
CID 106714769

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide (CID 79667869) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide?
The InChIKey is VAOXHLDMRKEGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(11-14(3,4)10-15)19(17,18)13-8-6-7-12(2)9-13/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 79667869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).