4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide

C10H16N2O2S — CID 84692052

IUPAC4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)(C)N)cc1
InChIInChI=1S/C10H16N2O2S/c1-10(2,11)8-4-6-9(7-5-8)15(13,14)12-3/h4-7,12H,11H2,1-3H3
InChIKeyGPDXSYQYZGWUIN-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.79
Rot. Bonds3

About 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide

4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 84692052) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID84692052
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)(C)N)cc1
InChIInChI=1S/C10H16N2O2S/c1-10(2,11)8-4-6-9(7-5-8)15(13,14)12-3/h4-7,12H,11H2,1-3H3
InChIKeyGPDXSYQYZGWUIN-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide (CID 84692052) is 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)(C)N)cc1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is GPDXSYQYZGWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,11)8-4-6-9(7-5-8)15(13,14)12-3/h4-7,12H,11H2,1-3H3.
What are the key properties of 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide?
4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 84692052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).