2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide

C15H27N3O2S — CID 43454391

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)(C)CN(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-17-21(19,20)14-10-8-7-9-13(14)16-11-15(2,3)12-18(4)5/h7-10,16-17H,6,11-12H2,1-5H3
InChIKeyBDDYATPCEWJZTQ-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.98
Rot. Bonds8

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide (PubChem CID 43454391) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
PubChem CID43454391
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)(C)CN(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-17-21(19,20)14-10-8-7-9-13(14)16-11-15(2,3)12-18(4)5/h7-10,16-17H,6,11-12H2,1-5H3
InChIKeyBDDYATPCEWJZTQ-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
CID 106142885
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80771221
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide (CID 43454391) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC(C)(C)CN(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide?
The InChIKey is BDDYATPCEWJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-17-21(19,20)14-10-8-7-9-13(14)16-11-15(2,3)12-18(4)5/h7-10,16-17H,6,11-12H2,1-5H3.
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43454391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).