ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate

C10H14N2O3S — CID 47030894

IUPACethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCc1cccs1
InChIInChI=1S/C10H14N2O3S/c1-2-15-10(14)12-7-9(13)11-6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyQZNJWQWAFMAYRC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.11
Rot. Bonds5

About ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate

ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate (PubChem CID 47030894) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate
PubChem CID47030894
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCc1cccs1
InChIInChI=1S/C10H14N2O3S/c1-2-15-10(14)12-7-9(13)11-6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyQZNJWQWAFMAYRC-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate (CID 47030894) is ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate is CCOC(=O)NCC(=O)NCc1cccs1.
What is the InChIKey of ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate?
The InChIKey is QZNJWQWAFMAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-15-10(14)12-7-9(13)11-6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate?
ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate has a molecular weight of 242.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 47030894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).