2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide

C13H22N2O2S — CID 58275405

IUPAC2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide
SMILESCC[C@@H](N)c1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-11(14)10-8-6-7-9-12(10)18(16,17)15-13(2,3)4/h6-9,11,15H,5,14H2,1-4H3/t11-/m1/s1
InChIKeyIHGPLZFPSIPDKS-LLVKDONJSA-N
MW270.40 g/mol
LogP2.17
Rot. Bonds4

About 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide

2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide (PubChem CID 58275405) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide
PubChem CID58275405
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide
SMILESCC[C@@H](N)c1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-11(14)10-8-6-7-9-12(10)18(16,17)15-13(2,3)4/h6-9,11,15H,5,14H2,1-4H3/t11-/m1/s1
InChIKeyIHGPLZFPSIPDKS-LLVKDONJSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide (CID 58275405) is 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide is CC[C@@H](N)c1ccccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide?
The InChIKey is IHGPLZFPSIPDKS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-11(14)10-8-6-7-9-12(10)18(16,17)15-13(2,3)4/h6-9,11,15H,5,14H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide?
2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 58275405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).