tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate

C17H32FN3O3S2Si — CID 167348401

IUPACtert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32FN3O3S2Si/c1-16(2,3)24-15(22)21(7)11-12-10-13(18)14(25-12)26(19,23)20-27(8,9)17(4,5)6/h10H,11H2,1-9H3,(H2,19,20,23)
InChIKeyJMBBIEZLRCPFAP-UHFFFAOYSA-N
MW437.68 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate (PubChem CID 167348401) has the molecular formula C17H32FN3O3S2Si and a molecular weight of 437.68 g/mol. Its IUPAC name is tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
PubChem CID167348401
Molecular FormulaC17H32FN3O3S2Si
Molecular Weight437.68 g/mol
Exact Mass437.16
IUPAC Nametert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32FN3O3S2Si/c1-16(2,3)24-15(22)21(7)11-12-10-13(18)14(25-12)26(19,23)20-27(8,9)17(4,5)6/h10H,11H2,1-9H3,(H2,19,20,23)
InChIKeyJMBBIEZLRCPFAP-UHFFFAOYSA-N
XLogP4.96
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-3-yl]methyl]-N-methylcarbamate
CID 167348309
1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine
CID 151290189
tert-butyl N-[[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 146611531
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[[4-(2-fluoro-3-pyridinyl)-5-thiophen-3-ylsulfonylthiophen-2-yl]methyl]-N-methylcarbamate
CID 68729933
(E)-but-2-enedioic acid;tert-butyl N-[[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylthiophen-2-yl]methyl]-N-methylcarbamate
CID 172749499
tert-butyl N-[[4-[(E)-N'-hydroxycarbamimidoyl]thiophen-2-yl]methyl]-N-methylcarbamate
CID 163226604
tert-butyl N-[[4-(2-chloro-3-pyridinyl)-5-(3-fluorophenyl)sulfonylthiophen-2-yl]methyl]-N-methylcarbamate;1-[4-(2-chloro-3-pyridinyl)-5-(3-fluorophenyl)sulfonylthiophen-2-yl]-N-methylmethanamine;hydrochloride
CID 87552605
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651
tert-butyl N-[[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfanylthiophen-2-yl]methyl]-N-methylcarbamate
CID 86644405
tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]-N-methylcarbamate
CID 168951101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate (CID 167348401) is tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate is CN(Cc1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
The InChIKey is JMBBIEZLRCPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3O3S2Si/c1-16(2,3)24-15(22)21(7)11-12-10-13(18)14(25-12)26(19,23)20-27(8,9)17(4,5)6/h10H,11H2,1-9H3,(H2,19,20,23).
What are the key properties of tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate has a molecular weight of 437.68 g/mol, XLogP of 4.96, 4 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]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 167348401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).