ethyl N-(2-thiophen-2-ylethyl)carbamate

C9H13NO2S — CID 10867324

IUPACethyl N-(2-thiophen-2-ylethyl)carbamate
SMILESCCOC(=O)NCCc1cccs1
InChIInChI=1S/C9H13NO2S/c1-2-12-9(11)10-6-5-8-4-3-7-13-8/h3-4,7H,2,5-6H2,1H3,(H,10,11)
InChIKeyHLYGOQXHYDCCTL-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.04
Rot. Bonds4

About ethyl N-(2-thiophen-2-ylethyl)carbamate

ethyl N-(2-thiophen-2-ylethyl)carbamate (PubChem CID 10867324) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is ethyl N-(2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-thiophen-2-ylethyl)carbamate
PubChem CID10867324
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Nameethyl N-(2-thiophen-2-ylethyl)carbamate
SMILESCCOC(=O)NCCc1cccs1
InChIInChI=1S/C9H13NO2S/c1-2-12-9(11)10-6-5-8-4-3-7-13-8/h3-4,7H,2,5-6H2,1H3,(H,10,11)
InChIKeyHLYGOQXHYDCCTL-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
1-Propyl-3-(2-thiophen-2-ylethyl)urea
CID 74229353
Ethyl 7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632758
Ethyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
tert-butyl N-[3-(thiophen-2-yl)prop-2-yn-1-yl]carbamate
CID 11492408
methyl N-(2-(5-(chlorosulfonyl)thiophen-2-yl)ethyl)carbamate
CID 75524953
ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 100042081
2-t-Butoxycarbonylamino-1-chloro-1-(2-thienyl)ethane
CID 13854070
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-thiophen-2-ylethyl)carbamate?
The IUPAC name of ethyl N-(2-thiophen-2-ylethyl)carbamate (CID 10867324) is ethyl N-(2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for ethyl N-(2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for ethyl N-(2-thiophen-2-ylethyl)carbamate is CCOC(=O)NCCc1cccs1.
What is the InChIKey of ethyl N-(2-thiophen-2-ylethyl)carbamate?
The InChIKey is HLYGOQXHYDCCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-12-9(11)10-6-5-8-4-3-7-13-8/h3-4,7H,2,5-6H2,1H3,(H,10,11).
What are the key properties of ethyl N-(2-thiophen-2-ylethyl)carbamate?
ethyl N-(2-thiophen-2-ylethyl)carbamate has a molecular weight of 199.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 10867324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).