tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate

C11H16FNO2S — CID 151880346

IUPACtert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H16FNO2S/c1-11(2,3)15-10(14)13(4)6-9-5-8(12)7-16-9/h5,7H,6H2,1-4H3
InChIKeySOOOVNRXRTWBAM-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.25
Rot. Bonds2

About tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate

tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate (PubChem CID 151880346) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
PubChem CID151880346
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Nametert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H16FNO2S/c1-11(2,3)15-10(14)13(4)6-9-5-8(12)7-16-9/h5,7H,6H2,1-4H3
InChIKeySOOOVNRXRTWBAM-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl N-[[4-[(E)-N'-hydroxycarbamimidoyl]thiophen-2-yl]methyl]-N-methylcarbamate
CID 163226604
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651
tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]-N-methylcarbamate
CID 168951101
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
CID 167348401
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
methyl 3-chloro-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-2-carboxylate
CID 59700598
tert-butyl N-[(3-ethynyl-4-fluorophenyl)methyl]-N-methylcarbamate
CID 176508120
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-3-yl]methyl]-N-methylcarbamate
CID 167348309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate (CID 151880346) is tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate is CN(Cc1cc(F)cs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate?
The InChIKey is SOOOVNRXRTWBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-11(2,3)15-10(14)13(4)6-9-5-8(12)7-16-9/h5,7H,6H2,1-4H3.
What are the key properties of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 151880346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).