ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate

C11H15NO2S — CID 15355949

IUPACethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1C=C(C)C
InChIInChI=1S/C11H15NO2S/c1-4-14-11(13)12-9-5-6-15-10(9)7-8(2)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyYUWWECZOYGZHNF-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.74
Rot. Bonds3

About ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate

ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate (PubChem CID 15355949) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
PubChem CID15355949
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1C=C(C)C
InChIInChI=1S/C11H15NO2S/c1-4-14-11(13)12-9-5-6-15-10(9)7-8(2)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyYUWWECZOYGZHNF-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
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ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
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ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate
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ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate
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ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
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ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
CID 170891135
ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
CID 170888901
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
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ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
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ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate
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CID 61215408

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate (CID 15355949) is ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate is CCOC(=O)Nc1ccsc1C=C(C)C.
What is the InChIKey of ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate?
The InChIKey is YUWWECZOYGZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-14-11(13)12-9-5-6-15-10(9)7-8(2)3/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate?
ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate has a molecular weight of 225.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 15355949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).