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

C11H16BrNO2S — CID 71819660

IUPACtert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-11(2,3)15-10(14)13-7-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyDXBJSPGRHGHJQU-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.58
Rot. Bonds3

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

tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate (PubChem CID 71819660) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
PubChem CID71819660
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Nametert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-11(2,3)15-10(14)13-7-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyDXBJSPGRHGHJQU-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
tert-Butyl ((5-bromo-3-fluorothiophen-2-yl)methyl)carbamate
CID 130358242
Tert-butyl 3-(5-bromothiophen-2-yl)-3-fluoroazetidine-1-carboxylate
CID 176152542
tert-butyl N-[(E)-3-(5-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 176429334
tert-butyl N-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257397
tert-butyl N-[3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257546
tert-butyl N-[3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257553
tert-butyl N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 107257556
2,2,2-trifluoroethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
CID 113227082
n-(2-(5-Bromothiophen-2-yl)ethyl)-3-methylbut-2-enamide
CID 47020173
7-(5-Bromo-2-thienyl)-4-tert-butoxycarbonylperhydro-1,4-thiazepine
CID 22276386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate (CID 71819660) is tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
The InChIKey is DXBJSPGRHGHJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-11(2,3)15-10(14)13-7-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate has a molecular weight of 306.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 71819660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).