tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate

C10H14BrNO2S — CID 2779810

IUPACtert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyCVNITIPQHIGCKI-UHFFFAOYSA-N
MW292.20 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate

tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate (PubChem CID 2779810) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate
PubChem CID2779810
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Nametert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyCVNITIPQHIGCKI-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate (CID 2779810) is tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(Br)s1.
What is the InChIKey of tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate?
The InChIKey is CVNITIPQHIGCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate?
tert-butyl N-[(5-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-[(5-bromothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 2779810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).