(3-amino-4-tert-butylphenyl)methanesulfonamide

C11H18N2O2S — CID 139784455

IUPAC(3-amino-4-tert-butylphenyl)methanesulfonamide
SMILESCC(C)(C)c1ccc(CS(N)(=O)=O)cc1N
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)9-5-4-8(6-10(9)12)7-16(13,14)15/h4-6H,7,12H2,1-3H3,(H2,13,14,15)
InChIKeyRZKQQQDRKHWFJE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.35
Rot. Bonds2

About (3-amino-4-tert-butylphenyl)methanesulfonamide

(3-amino-4-tert-butylphenyl)methanesulfonamide (PubChem CID 139784455) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (3-amino-4-tert-butylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-amino-4-tert-butylphenyl)methanesulfonamide
PubChem CID139784455
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(3-amino-4-tert-butylphenyl)methanesulfonamide
SMILESCC(C)(C)c1ccc(CS(N)(=O)=O)cc1N
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)9-5-4-8(6-10(9)12)7-16(13,14)15/h4-6H,7,12H2,1-3H3,(H2,13,14,15)
InChIKeyRZKQQQDRKHWFJE-UHFFFAOYSA-N
XLogP1.35
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.35
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 (3-amino-4-tert-butylphenyl)methanesulfonamide?
The IUPAC name of (3-amino-4-tert-butylphenyl)methanesulfonamide (CID 139784455) is (3-amino-4-tert-butylphenyl)methanesulfonamide.
What is the SMILES notation for (3-amino-4-tert-butylphenyl)methanesulfonamide?
The canonical SMILES for (3-amino-4-tert-butylphenyl)methanesulfonamide is CC(C)(C)c1ccc(CS(N)(=O)=O)cc1N.
What is the InChIKey of (3-amino-4-tert-butylphenyl)methanesulfonamide?
The InChIKey is RZKQQQDRKHWFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)9-5-4-8(6-10(9)12)7-16(13,14)15/h4-6H,7,12H2,1-3H3,(H2,13,14,15).
What are the key properties of (3-amino-4-tert-butylphenyl)methanesulfonamide?
(3-amino-4-tert-butylphenyl)methanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-tert-butylphenyl)methanesulfonamide is sourced from PubChem (CID 139784455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).