1-benzothiophen-2-ylmethyl N-methylcarbamate

C11H11NO2S — CID 23548760

IUPAC1-benzothiophen-2-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCc1cc2ccccc2s1
InChIInChI=1S/C11H11NO2S/c1-12-11(13)14-7-9-6-8-4-2-3-5-10(8)15-9/h2-6H,7H2,1H3,(H,12,13)
InChIKeyRFRGFPOAWYNHHD-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.76
Rot. Bonds2

About 1-benzothiophen-2-ylmethyl N-methylcarbamate

1-benzothiophen-2-ylmethyl N-methylcarbamate (PubChem CID 23548760) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-benzothiophen-2-ylmethyl N-methylcarbamate.

Molecular Properties

Compound Name1-benzothiophen-2-ylmethyl N-methylcarbamate
PubChem CID23548760
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-benzothiophen-2-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCc1cc2ccccc2s1
InChIInChI=1S/C11H11NO2S/c1-12-11(13)14-7-9-6-8-4-2-3-5-10(8)15-9/h2-6H,7H2,1H3,(H,12,13)
InChIKeyRFRGFPOAWYNHHD-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.76
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-methylcarbamate?
The IUPAC name of 1-benzothiophen-2-ylmethyl N-methylcarbamate (CID 23548760) is 1-benzothiophen-2-ylmethyl N-methylcarbamate.
What is the SMILES notation for 1-benzothiophen-2-ylmethyl N-methylcarbamate?
The canonical SMILES for 1-benzothiophen-2-ylmethyl N-methylcarbamate is CNC(=O)OCc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylmethyl N-methylcarbamate?
The InChIKey is RFRGFPOAWYNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-12-11(13)14-7-9-6-8-4-2-3-5-10(8)15-9/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 1-benzothiophen-2-ylmethyl N-methylcarbamate?
1-benzothiophen-2-ylmethyl N-methylcarbamate has a molecular weight of 221.28 g/mol, XLogP of 2.76, 2 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-methylcarbamate is sourced from PubChem (CID 23548760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).