4-(cyclobutylsulfonimidoyl)aniline

C10H14N2OS — CID 172601172

IUPAC4-(cyclobutylsulfonimidoyl)aniline
SMILES[H]N=S(=O)(c1ccc(N)cc1)C1CCC1
InChIInChI=1S/C10H14N2OS/c11-8-4-6-10(7-5-8)14(12,13)9-2-1-3-9/h4-7,9,12H,1-3,11H2
InChIKeyMHHHCGQGZHIYPH-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.23
Rot. Bonds2

About 4-(cyclobutylsulfonimidoyl)aniline

4-(cyclobutylsulfonimidoyl)aniline (PubChem CID 172601172) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(cyclobutylsulfonimidoyl)aniline.

Molecular Properties

Compound Name4-(cyclobutylsulfonimidoyl)aniline
PubChem CID172601172
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-(cyclobutylsulfonimidoyl)aniline
SMILES[H]N=S(=O)(c1ccc(N)cc1)C1CCC1
InChIInChI=1S/C10H14N2OS/c11-8-4-6-10(7-5-8)14(12,13)9-2-1-3-9/h4-7,9,12H,1-3,11H2
InChIKeyMHHHCGQGZHIYPH-UHFFFAOYSA-N
XLogP2.23
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.23
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 4-(cyclobutylsulfonimidoyl)aniline?
The IUPAC name of 4-(cyclobutylsulfonimidoyl)aniline (CID 172601172) is 4-(cyclobutylsulfonimidoyl)aniline.
What is the SMILES notation for 4-(cyclobutylsulfonimidoyl)aniline?
The canonical SMILES for 4-(cyclobutylsulfonimidoyl)aniline is [H]N=S(=O)(c1ccc(N)cc1)C1CCC1.
What is the InChIKey of 4-(cyclobutylsulfonimidoyl)aniline?
The InChIKey is MHHHCGQGZHIYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c11-8-4-6-10(7-5-8)14(12,13)9-2-1-3-9/h4-7,9,12H,1-3,11H2.
What are the key properties of 4-(cyclobutylsulfonimidoyl)aniline?
4-(cyclobutylsulfonimidoyl)aniline has a molecular weight of 210.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylsulfonimidoyl)aniline is sourced from PubChem (CID 172601172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).