methyl N-thiophen-2-ylcarbamate

C6H7NO2S — CID 54566332

IUPACmethyl N-thiophen-2-ylcarbamate
SMILESCOC(=O)Nc1cccs1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)7-5-3-2-4-10-5/h2-4H,1H3,(H,7,8)
InChIKeyZUBWDKIFKFMKNK-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.93
Rot. Bonds1

About methyl N-thiophen-2-ylcarbamate

methyl N-thiophen-2-ylcarbamate (PubChem CID 54566332) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl N-thiophen-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-thiophen-2-ylcarbamate
PubChem CID54566332
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl N-thiophen-2-ylcarbamate
SMILESCOC(=O)Nc1cccs1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)7-5-3-2-4-10-5/h2-4H,1H3,(H,7,8)
InChIKeyZUBWDKIFKFMKNK-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.93
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-ylcarbamate?
The IUPAC name of methyl N-thiophen-2-ylcarbamate (CID 54566332) is methyl N-thiophen-2-ylcarbamate.
What is the SMILES notation for methyl N-thiophen-2-ylcarbamate?
The canonical SMILES for methyl N-thiophen-2-ylcarbamate is COC(=O)Nc1cccs1.
What is the InChIKey of methyl N-thiophen-2-ylcarbamate?
The InChIKey is ZUBWDKIFKFMKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-6(8)7-5-3-2-4-10-5/h2-4H,1H3,(H,7,8).
What are the key properties of methyl N-thiophen-2-ylcarbamate?
methyl N-thiophen-2-ylcarbamate has a molecular weight of 157.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-thiophen-2-ylcarbamate is sourced from PubChem (CID 54566332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).