1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate

C13H15NO2S — CID 23548759

IUPAC1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-9(2)14-13(15)16-8-11-7-10-5-3-4-6-12(10)17-11/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyRJHBAWJMLXKDKU-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.54
Rot. Bonds3

About 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate

1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate (PubChem CID 23548759) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate
PubChem CID23548759
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-9(2)14-13(15)16-8-11-7-10-5-3-4-6-12(10)17-11/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyRJHBAWJMLXKDKU-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate?
The IUPAC name of 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate (CID 23548759) is 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate?
The canonical SMILES for 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate?
The InChIKey is RJHBAWJMLXKDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9(2)14-13(15)16-8-11-7-10-5-3-4-6-12(10)17-11/h3-7,9H,8H2,1-2H3,(H,14,15).
What are the key properties of 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate?
1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate has a molecular weight of 249.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylmethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 23548759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).