1-(3-aminophenyl)-N-tert-butylmethanesulfonamide

C11H18N2O2S — CID 43255629

IUPAC1-(3-aminophenyl)-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)8-9-5-4-6-10(12)7-9/h4-7,13H,8,12H2,1-3H3
InChIKeyJQWPSYDCHUINPM-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.49
Rot. Bonds3

About 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide

1-(3-aminophenyl)-N-tert-butylmethanesulfonamide (PubChem CID 43255629) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-tert-butylmethanesulfonamide
PubChem CID43255629
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(3-aminophenyl)-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)8-9-5-4-6-10(12)7-9/h4-7,13H,8,12H2,1-3H3
InChIKeyJQWPSYDCHUINPM-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.49
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 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide (CID 43255629) is 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide is CC(C)(C)NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide?
The InChIKey is JQWPSYDCHUINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)8-9-5-4-6-10(12)7-9/h4-7,13H,8,12H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide?
1-(3-aminophenyl)-N-tert-butylmethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-tert-butylmethanesulfonamide is sourced from PubChem (CID 43255629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).