tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate

C11H14BrNO2S — CID 155389174

IUPACtert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate
SMILESC=Cc1cc(NC(=O)OC(C)(C)C)c(Br)s1
InChIInChI=1S/C11H14BrNO2S/c1-5-7-6-8(9(12)16-7)13-10(14)15-11(2,3)4/h5-6H,1H2,2-4H3,(H,13,14)
InChIKeyXYXFUJKFSKEGJV-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.50
Rot. Bonds2

About tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate

tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate (PubChem CID 155389174) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate
PubChem CID155389174
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Nametert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate
SMILESC=Cc1cc(NC(=O)OC(C)(C)C)c(Br)s1
InChIInChI=1S/C11H14BrNO2S/c1-5-7-6-8(9(12)16-7)13-10(14)15-11(2,3)4/h5-6H,1H2,2-4H3,(H,13,14)
InChIKeyXYXFUJKFSKEGJV-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
CID 155388751
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
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tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
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tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-(5-bromo-4-fluoro-2-formylphenyl)carbamate
CID 163399231
tert-butyl N-(2-bromo-4-methylsulfanylphenyl)carbamate
CID 167736245
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[3-(4,5-dibromothiophen-2-yl)prop-2-enyl]carbamate
CID 169468821

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate (CID 155389174) is tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate is C=Cc1cc(NC(=O)OC(C)(C)C)c(Br)s1.
What is the InChIKey of tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate?
The InChIKey is XYXFUJKFSKEGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-5-7-6-8(9(12)16-7)13-10(14)15-11(2,3)4/h5-6H,1H2,2-4H3,(H,13,14).
What are the key properties of tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate?
tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate has a molecular weight of 304.21 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate is sourced from PubChem (CID 155389174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).