N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide

C12H20N2O2S — CID 70646120

IUPACN-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)10-5-4-6-11(9-10)17(15,16)14-8-7-13/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyLQVBEZYOUDHCSN-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.22
Rot. Bonds4

About N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide

N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide (PubChem CID 70646120) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
PubChem CID70646120
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)10-5-4-6-11(9-10)17(15,16)14-8-7-13/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyLQVBEZYOUDHCSN-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
tert-butyl 3-(2-aminoethylsulfamoyl)benzoate
CID 167725813
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
3-tert-butylbenzenesulfonate
CID 22438691
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
sodium 3-tert-butylbenzenesulfonate
CID 176759035
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide (CID 70646120) is N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide is CC(C)(C)c1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide?
The InChIKey is LQVBEZYOUDHCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)10-5-4-6-11(9-10)17(15,16)14-8-7-13/h4-6,9,14H,7-8,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide?
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide is sourced from PubChem (CID 70646120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).