3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide

C15H24N2OS — CID 86604772

IUPAC3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)Sc1ccc(N)c(CC(C)(C)C(N)=O)c1
InChIInChI=1S/C15H24N2OS/c1-14(2,3)19-11-6-7-12(16)10(8-11)9-15(4,5)13(17)18/h6-8H,9,16H2,1-5H3,(H2,17,18)
InChIKeyYFPBBZDEDUBUAU-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.21
Rot. Bonds4

About 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide

3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide (PubChem CID 86604772) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide
PubChem CID86604772
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)Sc1ccc(N)c(CC(C)(C)C(N)=O)c1
InChIInChI=1S/C15H24N2OS/c1-14(2,3)19-11-6-7-12(16)10(8-11)9-15(4,5)13(17)18/h6-8H,9,16H2,1-5H3,(H2,17,18)
InChIKeyYFPBBZDEDUBUAU-UHFFFAOYSA-N
XLogP3.21
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide (CID 86604772) is 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide is CC(C)(C)Sc1ccc(N)c(CC(C)(C)C(N)=O)c1.
What is the InChIKey of 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide?
The InChIKey is YFPBBZDEDUBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-14(2,3)19-11-6-7-12(16)10(8-11)9-15(4,5)13(17)18/h6-8H,9,16H2,1-5H3,(H2,17,18).
What are the key properties of 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide?
3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-tert-butylsulfanylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 86604772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).