methyl N-(thiophen-2-ylmethyl)carbamate

C7H9NO2S — CID 4166857

IUPACmethyl N-(thiophen-2-ylmethyl)carbamate
SMILESCOC(=O)NCc1cccs1
InChIInChI=1S/C7H9NO2S/c1-10-7(9)8-5-6-3-2-4-11-6/h2-4H,5H2,1H3,(H,8,9)
InChIKeyUVYDBGPQPBSTGY-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.60
Rot. Bonds2

About methyl N-(thiophen-2-ylmethyl)carbamate

methyl N-(thiophen-2-ylmethyl)carbamate (PubChem CID 4166857) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(thiophen-2-ylmethyl)carbamate
PubChem CID4166857
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl N-(thiophen-2-ylmethyl)carbamate
SMILESCOC(=O)NCc1cccs1
InChIInChI=1S/C7H9NO2S/c1-10-7(9)8-5-6-3-2-4-11-6/h2-4H,5H2,1H3,(H,8,9)
InChIKeyUVYDBGPQPBSTGY-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of methyl N-(thiophen-2-ylmethyl)carbamate (CID 4166857) is methyl N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for methyl N-(thiophen-2-ylmethyl)carbamate is COC(=O)NCc1cccs1.
What is the InChIKey of methyl N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is UVYDBGPQPBSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-10-7(9)8-5-6-3-2-4-11-6/h2-4H,5H2,1H3,(H,8,9).
What are the key properties of methyl N-(thiophen-2-ylmethyl)carbamate?
methyl N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 171.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 4166857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).