N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide

C11H16N2O2S — CID 129046716

IUPACN-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-9(12)7-10(8)13-16(14,15)11(2)5-6-11/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyMAIUZUBYOMZAQY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.87
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide

N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide (PubChem CID 129046716) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide
PubChem CID129046716
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-9(12)7-10(8)13-16(14,15)11(2)5-6-11/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyMAIUZUBYOMZAQY-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.87
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 N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide (CID 129046716) is N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide is Cc1ccc(N)cc1NS(=O)(=O)C1(C)CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide?
The InChIKey is MAIUZUBYOMZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-3-4-9(12)7-10(8)13-16(14,15)11(2)5-6-11/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide?
N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 129046716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).