N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide

C15H26N2O2S — CID 80686410

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CC(C)(C)CN)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-13(14-8-6-5-7-9-14)10-20(18,19)17(4)12-15(2,3)11-16/h5-9,13H,10-12,16H2,1-4H3
InChIKeyXJZRMHVMGAYODP-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.04
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide (PubChem CID 80686410) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
PubChem CID80686410
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CC(C)(C)CN)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-13(14-8-6-5-7-9-14)10-20(18,19)17(4)12-15(2,3)11-16/h5-9,13H,10-12,16H2,1-4H3
InChIKeyXJZRMHVMGAYODP-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 107206887
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686932
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
CID 68807261
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
CID 79659967
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide (CID 80686410) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)CC(C)(C)CN)c1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The InChIKey is XJZRMHVMGAYODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-13(14-8-6-5-7-9-14)10-20(18,19)17(4)12-15(2,3)11-16/h5-9,13H,10-12,16H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.04, 7 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-methyl-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).