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

C12H19NO2S — CID 79032696

IUPACtert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCN(CCc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2S/c1-12(2,3)15-11(14)13(4)8-7-10-6-5-9-16-10/h5-6,9H,7-8H2,1-4H3
InChIKeyKJAPOXUHVHGPAR-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.16
Rot. Bonds3

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

tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate (PubChem CID 79032696) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
PubChem CID79032696
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCN(CCc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2S/c1-12(2,3)15-11(14)13(4)8-7-10-6-5-9-16-10/h5-6,9H,7-8H2,1-4H3
InChIKeyKJAPOXUHVHGPAR-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate (CID 79032696) is tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate is CN(CCc1cccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The InChIKey is KJAPOXUHVHGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,3)15-11(14)13(4)8-7-10-6-5-9-16-10/h5-6,9H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate has a molecular weight of 241.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 79032696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).