ethyl N-(thiophene-2-carbonylamino)carbamate

C8H10N2O3S — CID 40616002

IUPACethyl N-(thiophene-2-carbonylamino)carbamate
SMILESCCOC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C8H10N2O3S/c1-2-13-8(12)10-9-7(11)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)
InChIKeyFZGHHXFEQNOWPW-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.14
Rot. Bonds2

About ethyl N-(thiophene-2-carbonylamino)carbamate

ethyl N-(thiophene-2-carbonylamino)carbamate (PubChem CID 40616002) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is ethyl N-(thiophene-2-carbonylamino)carbamate.

Molecular Properties

Compound Nameethyl N-(thiophene-2-carbonylamino)carbamate
PubChem CID40616002
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Nameethyl N-(thiophene-2-carbonylamino)carbamate
SMILESCCOC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C8H10N2O3S/c1-2-13-8(12)10-9-7(11)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)
InChIKeyFZGHHXFEQNOWPW-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(thiophene-2-carbonylamino)carbamate?
The IUPAC name of ethyl N-(thiophene-2-carbonylamino)carbamate (CID 40616002) is ethyl N-(thiophene-2-carbonylamino)carbamate.
What is the SMILES notation for ethyl N-(thiophene-2-carbonylamino)carbamate?
The canonical SMILES for ethyl N-(thiophene-2-carbonylamino)carbamate is CCOC(=O)NNC(=O)c1cccs1.
What is the InChIKey of ethyl N-(thiophene-2-carbonylamino)carbamate?
The InChIKey is FZGHHXFEQNOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-13-8(12)10-9-7(11)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12).
What are the key properties of ethyl N-(thiophene-2-carbonylamino)carbamate?
ethyl N-(thiophene-2-carbonylamino)carbamate has a molecular weight of 214.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(thiophene-2-carbonylamino)carbamate is sourced from PubChem (CID 40616002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).