N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide

C22H32N6O3SSi — CID 69452732

IUPACN-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(NS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C22H32N6O3SSi/c1-22(2,3)33(4,5)31-17-19-7-6-8-20(25-19)26-32(29,30)28-13-11-27(12-14-28)21-10-9-18(15-23)16-24-21/h6-10,16H,11-14,17H2,1-5H3,(H,25,26)
InChIKeyUOMSRNVKVZOKSV-UHFFFAOYSA-N
MW488.69 g/mol
LogP3.35
Rot. Bonds7

About N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide

N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide (PubChem CID 69452732) has the molecular formula C22H32N6O3SSi and a molecular weight of 488.69 g/mol. Its IUPAC name is N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide
PubChem CID69452732
Molecular FormulaC22H32N6O3SSi
Molecular Weight488.69 g/mol
Exact Mass488.20
IUPAC NameN-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(NS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C22H32N6O3SSi/c1-22(2,3)33(4,5)31-17-19-7-6-8-20(25-19)26-32(29,30)28-13-11-27(12-14-28)21-10-9-18(15-23)16-24-21/h6-10,16H,11-14,17H2,1-5H3,(H,25,26)
InChIKeyUOMSRNVKVZOKSV-UHFFFAOYSA-N
XLogP3.35
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide?
The IUPAC name of N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide (CID 69452732) is N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide?
The canonical SMILES for N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide is CC(C)(C)[Si](C)(C)OCc1cccc(NS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide?
The InChIKey is UOMSRNVKVZOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3SSi/c1-22(2,3)33(4,5)31-17-19-7-6-8-20(25-19)26-32(29,30)28-13-11-27(12-14-28)21-10-9-18(15-23)16-24-21/h6-10,16H,11-14,17H2,1-5H3,(H,25,26).
What are the key properties of N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide?
N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide has a molecular weight of 488.69 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-cyano-2-pyridinyl)piperazine-1-sulfonamide is sourced from PubChem (CID 69452732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).