tert-butyl N-(2-thiophen-2-ylethyl)carbamate

C11H17NO2S — CID 22726825

IUPACtert-butyl N-(2-thiophen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12-7-6-9-5-4-8-15-9/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyPOWHBKBADZKVHY-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl N-(2-thiophen-2-ylethyl)carbamate

tert-butyl N-(2-thiophen-2-ylethyl)carbamate (PubChem CID 22726825) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is tert-butyl N-(2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-thiophen-2-ylethyl)carbamate
PubChem CID22726825
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nametert-butyl N-(2-thiophen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12-7-6-9-5-4-8-15-9/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyPOWHBKBADZKVHY-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-thiophen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-thiophen-2-ylethyl)carbamate (CID 22726825) is tert-butyl N-(2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-thiophen-2-ylethyl)carbamate is CC(C)(C)OC(=O)NCCc1cccs1.
What is the InChIKey of tert-butyl N-(2-thiophen-2-ylethyl)carbamate?
The InChIKey is POWHBKBADZKVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12-7-6-9-5-4-8-15-9/h4-5,8H,6-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(2-thiophen-2-ylethyl)carbamate?
tert-butyl N-(2-thiophen-2-ylethyl)carbamate has a molecular weight of 227.33 g/mol, XLogP of 2.82, 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-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 22726825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).