2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium

C14H25N2O2S+ — CID 8716767

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)12-6-8-13(9-7-12)19(17,18)15-10-11-16(4)5/h6-9,15H,10-11H2,1-5H3/p+1
InChIKeyGHCHVEQFUGCMOT-UHFFFAOYSA-O
MW285.43 g/mol
LogP0.41
Rot. Bonds5

About 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium

2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium (PubChem CID 8716767) has the molecular formula C14H25N2O2S+ and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
PubChem CID8716767
Molecular FormulaC14H25N2O2S+
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)12-6-8-13(9-7-12)19(17,18)15-10-11-16(4)5/h6-9,15H,10-11H2,1-5H3/p+1
InChIKeyGHCHVEQFUGCMOT-UHFFFAOYSA-O
XLogP0.41
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
tert-butyl 4-[(4-tert-butylphenyl)sulfonylamino]butanoate
CID 4988429
5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide
CID 161306758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium (CID 8716767) is 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium is C[NH+](C)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium?
The InChIKey is GHCHVEQFUGCMOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)12-6-8-13(9-7-12)19(17,18)15-10-11-16(4)5/h6-9,15H,10-11H2,1-5H3/p+1.
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium?
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium has a molecular weight of 285.43 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium is sourced from PubChem (CID 8716767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).