tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate

C15H24FN3O3S2 — CID 163662881

IUPACtert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
SMILESCN=S(N)(=O)c1sc(CN(C(=O)OC(C)(C)C)C2CCC2)cc1F
InChIInChI=1S/C15H24FN3O3S2/c1-15(2,3)22-14(20)19(10-6-5-7-10)9-11-8-12(16)13(23-11)24(17,21)18-4/h8,10H,5-7,9H2,1-4H3,(H2,17,18,21)
InChIKeyIVWOWFUDSUZUDD-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate

tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate (PubChem CID 163662881) has the molecular formula C15H24FN3O3S2 and a molecular weight of 377.51 g/mol. Its IUPAC name is tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
PubChem CID163662881
Molecular FormulaC15H24FN3O3S2
Molecular Weight377.51 g/mol
Exact Mass377.12
IUPAC Nametert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
SMILESCN=S(N)(=O)c1sc(CN(C(=O)OC(C)(C)C)C2CCC2)cc1F
InChIInChI=1S/C15H24FN3O3S2/c1-15(2,3)22-14(20)19(10-6-5-7-10)9-11-8-12(16)13(23-11)24(17,21)18-4/h8,10H,5-7,9H2,1-4H3,(H2,17,18,21)
InChIKeyIVWOWFUDSUZUDD-UHFFFAOYSA-N
XLogP3.51
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate with MolForge

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Related Compounds

tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate
CID 146611530
tert-butyl N-[[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 146611531
3-Fluoro-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-2-sulfinic acid
CID 146612125
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
CID 146612126
tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate
CID 146612127
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[(5-aminosulfanyl-4-fluorothiophen-2-yl)methyl]-N-cyclobutylcarbamate
CID 153590267
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 167348394
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
CID 167348401
tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
CID 174041562
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(5-sulfamoylthiophen-2-yl)methyl]amino]propanoate
CID 134954663

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate?
The IUPAC name of tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate (CID 163662881) is tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate?
The canonical SMILES for tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate is CN=S(N)(=O)c1sc(CN(C(=O)OC(C)(C)C)C2CCC2)cc1F.
What is the InChIKey of tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate?
The InChIKey is IVWOWFUDSUZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S2/c1-15(2,3)22-14(20)19(10-6-5-7-10)9-11-8-12(16)13(23-11)24(17,21)18-4/h8,10H,5-7,9H2,1-4H3,(H2,17,18,21).
What are the key properties of tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate?
tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate has a molecular weight of 377.51 g/mol, XLogP of 3.51, 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-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate is sourced from PubChem (CID 163662881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).