N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

C17H31Cl2N3O2SSi — CID 140806199

IUPACN-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(CO[Si](C)(C)C(C)(C)C)(NS(=O)C(C)(C)C)c1ncc(Cl)nc1Cl
InChIInChI=1S/C17H31Cl2N3O2SSi/c1-15(2,3)25(23)22-17(7,11-24-26(8,9)16(4,5)6)13-14(19)21-12(18)10-20-13/h10,22H,11H2,1-9H3
InChIKeyBROBEYOQGYXUAF-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.07
Rot. Bonds6

About N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 140806199) has the molecular formula C17H31Cl2N3O2SSi and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID140806199
Molecular FormulaC17H31Cl2N3O2SSi
Molecular Weight440.51 g/mol
Exact Mass439.13
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(CO[Si](C)(C)C(C)(C)C)(NS(=O)C(C)(C)C)c1ncc(Cl)nc1Cl
InChIInChI=1S/C17H31Cl2N3O2SSi/c1-15(2,3)25(23)22-17(7,11-24-26(8,9)16(4,5)6)13-14(19)21-12(18)10-20-13/h10,22H,11H2,1-9H3
InChIKeyBROBEYOQGYXUAF-UHFFFAOYSA-N
XLogP5.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide (CID 140806199) is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide is CC(CO[Si](C)(C)C(C)(C)C)(NS(=O)C(C)(C)C)c1ncc(Cl)nc1Cl.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is BROBEYOQGYXUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31Cl2N3O2SSi/c1-15(2,3)25(23)22-17(7,11-24-26(8,9)16(4,5)6)13-14(19)21-12(18)10-20-13/h10,22H,11H2,1-9H3.
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 440.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140806199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).