tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate

C10H14BrNO2S — CID 46739291

IUPACtert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyQWJRQWPEJVQCHU-UHFFFAOYSA-N
MW292.20 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate

tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate (PubChem CID 46739291) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
PubChem CID46739291
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Nametert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyQWJRQWPEJVQCHU-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate 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

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
CID 2799233
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
tert-Butyl (2-(5-bromothiophen-2-yl)ethyl)carbamate
CID 71819660
tert-Butyl ((5-bromo-3-fluorothiophen-2-yl)methyl)carbamate
CID 130358242
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
tert-butyl N-[[5-(3-bromo-4-fluorophenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 141671507
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 24974631
tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate
CID 134944576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate (CID 46739291) is tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(Br)cs1.
What is the InChIKey of tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The InChIKey is QWJRQWPEJVQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate has a molecular weight of 292.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 46739291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).