1-benzothiophen-7-yl N-methylcarbamate

C10H9NO2S — CID 130006120

IUPAC1-benzothiophen-7-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccsc12
InChIInChI=1S/C10H9NO2S/c1-11-10(12)13-8-4-2-3-7-5-6-14-9(7)8/h2-6H,1H3,(H,11,12)
InChIKeyWHSADJNGFPMUSH-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.62
Rot. Bonds1

About 1-benzothiophen-7-yl N-methylcarbamate

1-benzothiophen-7-yl N-methylcarbamate (PubChem CID 130006120) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-benzothiophen-7-yl N-methylcarbamate.

Molecular Properties

Compound Name1-benzothiophen-7-yl N-methylcarbamate
PubChem CID130006120
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-benzothiophen-7-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccsc12
InChIInChI=1S/C10H9NO2S/c1-11-10(12)13-8-4-2-3-7-5-6-14-9(7)8/h2-6H,1H3,(H,11,12)
InChIKeyWHSADJNGFPMUSH-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl N-methylcarbamate?
The IUPAC name of 1-benzothiophen-7-yl N-methylcarbamate (CID 130006120) is 1-benzothiophen-7-yl N-methylcarbamate.
What is the SMILES notation for 1-benzothiophen-7-yl N-methylcarbamate?
The canonical SMILES for 1-benzothiophen-7-yl N-methylcarbamate is CNC(=O)Oc1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl N-methylcarbamate?
The InChIKey is WHSADJNGFPMUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-11-10(12)13-8-4-2-3-7-5-6-14-9(7)8/h2-6H,1H3,(H,11,12).
What are the key properties of 1-benzothiophen-7-yl N-methylcarbamate?
1-benzothiophen-7-yl N-methylcarbamate has a molecular weight of 207.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl N-methylcarbamate is sourced from PubChem (CID 130006120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).