4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C16H28N2O2S — CID 43570487

IUPAC4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)N(C)C(C)C(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-7-17-13(4)15-8-10-16(11-9-15)21(19,20)18(6)14(5)12(2)3/h8-14,17H,7H2,1-6H3
InChIKeyRAWACBJIIHIUII-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.02
Rot. Bonds7

About 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide

4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43570487) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID43570487
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)N(C)C(C)C(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-7-17-13(4)15-8-10-16(11-9-15)21(19,20)18(6)14(5)12(2)3/h8-14,17H,7H2,1-6H3
InChIKeyRAWACBJIIHIUII-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43506894
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-(2-chloroethyl)-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43662620
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
CID 43506983
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79850828
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 43570487) is 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide is CCNC(C)c1ccc(S(=O)(=O)N(C)C(C)C(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RAWACBJIIHIUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-7-17-13(4)15-8-10-16(11-9-15)21(19,20)18(6)14(5)12(2)3/h8-14,17H,7H2,1-6H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43570487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).