2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 63196503

IUPAC2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1CC(N)C(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-11(2)17-20(18,19)13-9-7-6-8-12(13)10-14(16)15(3,4)5/h6-9,11,14,17H,10,16H2,1-5H3
InChIKeyGUDLNXAJLUHMJM-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide

2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 63196503) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID63196503
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1CC(N)C(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-11(2)17-20(18,19)13-9-7-6-8-12(13)10-14(16)15(3,4)5/h6-9,11,14,17H,10,16H2,1-5H3
InChIKeyGUDLNXAJLUHMJM-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63198818
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
tert-butyl (2S)-2-[[2-(aminomethyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 59461671
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
CID 55161343
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide (CID 63196503) is 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1CC(N)C(C)(C)C.
What is the InChIKey of 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GUDLNXAJLUHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(2)17-20(18,19)13-9-7-6-8-12(13)10-14(16)15(3,4)5/h6-9,11,14,17H,10,16H2,1-5H3.
What are the key properties of 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide?
2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63196503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).