tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate

C20H37N3O3S2Si — CID 167348337

IUPACtert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(c1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C1CC1
InChIInChI=1S/C20H37N3O3S2Si/c1-19(2,3)26-18(24)23(7)17(14-10-11-14)15-12-13-16(27-15)28(21,25)22-29(8,9)20(4,5)6/h12-14,17H,10-11H2,1-9H3,(H2,21,22,25)
InChIKeyALCKKGCPLYLMJX-UHFFFAOYSA-N
MW459.75 g/mol
LogP5.77
Rot. Bonds5

About tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate

tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate (PubChem CID 167348337) has the molecular formula C20H37N3O3S2Si and a molecular weight of 459.75 g/mol. Its IUPAC name is tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate
PubChem CID167348337
Molecular FormulaC20H37N3O3S2Si
Molecular Weight459.75 g/mol
Exact Mass459.20
IUPAC Nametert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(c1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C1CC1
InChIInChI=1S/C20H37N3O3S2Si/c1-19(2,3)26-18(24)23(7)17(14-10-11-14)15-12-13-16(27-15)28(21,25)22-29(8,9)20(4,5)6/h12-14,17H,10-11H2,1-9H3,(H2,21,22,25)
InChIKeyALCKKGCPLYLMJX-UHFFFAOYSA-N
XLogP5.77
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.75
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate (CID 167348337) is tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(c1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C1CC1.
What is the InChIKey of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
The InChIKey is ALCKKGCPLYLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3S2Si/c1-19(2,3)26-18(24)23(7)17(14-10-11-14)15-12-13-16(27-15)28(21,25)22-29(8,9)20(4,5)6/h12-14,17H,10-11H2,1-9H3,(H2,21,22,25).
What are the key properties of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate has a molecular weight of 459.75 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate is sourced from PubChem (CID 167348337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).