ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate

C10H15NO2S — CID 61217697

IUPACethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C10H15NO2S/c1-3-13-10(12)11-8(2)6-9-4-5-14-7-9/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)
InChIKeyAPBLZHZXRSYAMG-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.43
Rot. Bonds4

About ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate

ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate (PubChem CID 61217697) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
PubChem CID61217697
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C10H15NO2S/c1-3-13-10(12)11-8(2)6-9-4-5-14-7-9/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)
InChIKeyAPBLZHZXRSYAMG-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate (CID 61217697) is ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate is CCOC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The InChIKey is APBLZHZXRSYAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-13-10(12)11-8(2)6-9-4-5-14-7-9/h4-5,7-8H,3,6H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate has a molecular weight of 213.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate is sourced from PubChem (CID 61217697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).