2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene

C13H26N2OS2Si — CID 150684916

IUPAC2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene
SMILESCC(C)c1csc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C13H26N2OS2Si/c1-10(2)11-8-12(17-9-11)18(14,16)15-19(6,7)13(3,4)5/h8-10H,1-7H3,(H2,14,15,16)
InChIKeyJIQONHRSANKUSZ-UHFFFAOYSA-N
MW318.58 g/mol
LogP4.58
Rot. Bonds3

About 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene

2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene (PubChem CID 150684916) has the molecular formula C13H26N2OS2Si and a molecular weight of 318.58 g/mol. Its IUPAC name is 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene.

Molecular Properties

Compound Name2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene
PubChem CID150684916
Molecular FormulaC13H26N2OS2Si
Molecular Weight318.58 g/mol
Exact Mass318.13
IUPAC Name2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene
SMILESCC(C)c1csc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C13H26N2OS2Si/c1-10(2)11-8-12(17-9-11)18(14,16)15-19(6,7)13(3,4)5/h8-10H,1-7H3,(H2,14,15,16)
InChIKeyJIQONHRSANKUSZ-UHFFFAOYSA-N
XLogP4.58
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
CID 10426239
2-methylsulfonyl-4-propan-2-ylthiophene
CID 137453120
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-3-yl]methyl]-N-methylcarbamate
CID 167348309
2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
CID 150348079
4-[1-[tert-butyl(dimethyl)silyl]oxypentyl]thiophene-2-sulfonamide
CID 10361377
4-(difluoromethyl)thiophene-2-sulfonamide
CID 69128921
2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol
CID 151296024
tert-butyl-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-dimethylsilane
CID 162396856
2-[(4-propan-2-ylthiophen-2-yl)methylamino]-5-sulfamoylbenzoic acid
CID 54552550
N-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-2-[4-(methoxymethyl)-2,6-di(propan-2-yl)phenyl]acetamide;sulfane
CID 160930853
(4-propan-2-yl-2-sulfamoylphenyl)boronic acid
CID 68648266
1-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-3-[1-phenyl-3,5-di(propan-2-yl)pyrazol-4-yl]urea
CID 146450723

Frequently Asked Questions

What is the IUPAC name of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene?
The IUPAC name of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene (CID 150684916) is 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene.
What is the SMILES notation for 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene?
The canonical SMILES for 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene is CC(C)c1csc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene?
The InChIKey is JIQONHRSANKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS2Si/c1-10(2)11-8-12(17-9-11)18(14,16)15-19(6,7)13(3,4)5/h8-10H,1-7H3,(H2,14,15,16).
What are the key properties of 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene?
2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene has a molecular weight of 318.58 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene is sourced from PubChem (CID 150684916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).