2-(aminomethyl)-N-tert-butylbenzenesulfonamide

C11H18N2O2S — CID 16784186

IUPAC2-(aminomethyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)10-7-5-4-6-9(10)8-12/h4-7,13H,8,12H2,1-3H3
InChIKeyARJLJEDVAZLVPJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.22
Rot. Bonds3

About 2-(aminomethyl)-N-tert-butylbenzenesulfonamide

2-(aminomethyl)-N-tert-butylbenzenesulfonamide (PubChem CID 16784186) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-tert-butylbenzenesulfonamide
PubChem CID16784186
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(aminomethyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)10-7-5-4-6-9(10)8-12/h4-7,13H,8,12H2,1-3H3
InChIKeyARJLJEDVAZLVPJ-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-tert-butylbenzenesulfonamide (CID 16784186) is 2-(aminomethyl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-tert-butylbenzenesulfonamide?
The InChIKey is ARJLJEDVAZLVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)10-7-5-4-6-9(10)8-12/h4-7,13H,8,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-tert-butylbenzenesulfonamide?
2-(aminomethyl)-N-tert-butylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 16784186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).