N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

C16H28N2O2S — CID 104828856

IUPACN-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NC(C)C(C)(C)C)c1
InChIInChI=1S/C16H28N2O2S/c1-7-17-12(2)14-9-8-10-15(11-14)21(19,20)18-13(3)16(4,5)6/h8-13,17-18H,7H2,1-6H3
InChIKeyRTPFUXGEHJGQEJ-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.07
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (PubChem CID 104828856) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
PubChem CID104828856
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NC(C)C(C)(C)C)c1
InChIInChI=1S/C16H28N2O2S/c1-7-17-12(2)14-9-8-10-15(11-14)21(19,20)18-13(3)16(4,5)6/h8-13,17-18H,7H2,1-6H3
InChIKeyRTPFUXGEHJGQEJ-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (CID 104828856) is N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NC(C)C(C)(C)C)c1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The InChIKey is RTPFUXGEHJGQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-7-17-12(2)14-9-8-10-15(11-14)21(19,20)18-13(3)16(4,5)6/h8-13,17-18H,7H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 104828856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).