4-(2-amino-2-methylpropyl)benzenesulfonamide

C10H16N2O2S — CID 130155148

IUPAC4-(2-amino-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(N)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O2S/c1-10(2,11)7-8-3-5-9(6-4-8)15(12,13)14/h3-6H,7,11H2,1-2H3,(H2,12,13,14)
InChIKeyNMRHXDAGEQCYOT-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.61
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)benzenesulfonamide

4-(2-amino-2-methylpropyl)benzenesulfonamide (PubChem CID 130155148) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)benzenesulfonamide
PubChem CID130155148
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(2-amino-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(N)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O2S/c1-10(2,11)7-8-3-5-9(6-4-8)15(12,13)14/h3-6H,7,11H2,1-2H3,(H2,12,13,14)
InChIKeyNMRHXDAGEQCYOT-UHFFFAOYSA-N
XLogP0.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446
p-t-Butylbenzenesulfonamide potassium
CID 66748434
1-[3,4-bis(methylsulfonyl)phenyl]-2-methylpropan-2-amine
CID 117490792
4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide
CID 157187047
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
4-[2-(3,3-dimethylbutylamino)ethyl]benzenesulfonamide
CID 60687315
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
CID 3043620
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
CID 159358457
CID 159358457
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(2-amino-2-methylpropyl)benzenesulfonamide (CID 130155148) is 4-(2-amino-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(2-amino-2-methylpropyl)benzenesulfonamide is CC(C)(N)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)benzenesulfonamide?
The InChIKey is NMRHXDAGEQCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,11)7-8-3-5-9(6-4-8)15(12,13)14/h3-6H,7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-(2-amino-2-methylpropyl)benzenesulfonamide?
4-(2-amino-2-methylpropyl)benzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 130155148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).