2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine

C17H33N3OSSi — CID 150897251

IUPAC2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine
SMILES[H]N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(C(C)(C)N(C)C)cc1
InChIInChI=1S/C17H33N3OSSi/c1-16(2,3)23(8,9)19-22(18,21)15-12-10-14(11-13-15)17(4,5)20(6)7/h10-13H,1-9H3,(H2,18,19,21)
InChIKeyKZGBUWOEYSVOMH-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.40
Rot. Bonds5

About 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine

2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine (PubChem CID 150897251) has the molecular formula C17H33N3OSSi and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine
PubChem CID150897251
Molecular FormulaC17H33N3OSSi
Molecular Weight355.62 g/mol
Exact Mass355.21
IUPAC Name2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine
SMILES[H]N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(C(C)(C)N(C)C)cc1
InChIInChI=1S/C17H33N3OSSi/c1-16(2,3)23(8,9)19-22(18,21)15-12-10-14(11-13-15)17(4,5)20(6)7/h10-13H,1-9H3,(H2,18,19,21)
InChIKeyKZGBUWOEYSVOMH-UHFFFAOYSA-N
XLogP4.40
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine (CID 150897251) is 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine is [H]N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(C(C)(C)N(C)C)cc1.
What is the InChIKey of 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine?
The InChIKey is KZGBUWOEYSVOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3OSSi/c1-16(2,3)23(8,9)19-22(18,21)15-12-10-14(11-13-15)17(4,5)20(6)7/h10-13H,1-9H3,(H2,18,19,21).
What are the key properties of 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine?
2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine has a molecular weight of 355.62 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]phenyl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 150897251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).