N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide

C14H24N2O2S — CID 70331751

IUPACN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)13(15-4)11-16(5)19(17,18)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3/t13-/m1/s1
InChIKeyXUAMMAVQIHVLKK-CYBMUJFWSA-N
MW284.42 g/mol
LogP1.94
Rot. Bonds5

About N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide

N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide (PubChem CID 70331751) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
PubChem CID70331751
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)13(15-4)11-16(5)19(17,18)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3/t13-/m1/s1
InChIKeyXUAMMAVQIHVLKK-CYBMUJFWSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide
CID 143105273
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide
CID 71216117
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
CID 110315307
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 124638191
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N-methylbenzenesulfonamide
CID 10683545
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 41244864
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
CID 110663687

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide (CID 70331751) is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide is CN[C@H](CN(C)S(=O)(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
The InChIKey is XUAMMAVQIHVLKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)13(15-4)11-16(5)19(17,18)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 70331751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).