ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate

C11H12N2O2S — CID 13103674

IUPACethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
SMILESCCOC(=O)Nc1ccsc1-n1cccc1
InChIInChI=1S/C11H12N2O2S/c1-2-15-11(14)12-9-5-8-16-10(9)13-6-3-4-7-13/h3-8H,2H2,1H3,(H,12,14)
InChIKeyDWBFRQHPZYSFDX-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.11
Rot. Bonds3

About ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate

ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate (PubChem CID 13103674) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
PubChem CID13103674
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Nameethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
SMILESCCOC(=O)Nc1ccsc1-n1cccc1
InChIInChI=1S/C11H12N2O2S/c1-2-15-11(14)12-9-5-8-16-10(9)13-6-3-4-7-13/h3-8H,2H2,1H3,(H,12,14)
InChIKeyDWBFRQHPZYSFDX-UHFFFAOYSA-N
XLogP3.11
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
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ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
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ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
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ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
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ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
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ethyl N-(2-anilinophenyl)carbamate
CID 12930175
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
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methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
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methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate?
The IUPAC name of ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate (CID 13103674) is ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate?
The canonical SMILES for ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate is CCOC(=O)Nc1ccsc1-n1cccc1.
What is the InChIKey of ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate?
The InChIKey is DWBFRQHPZYSFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-15-11(14)12-9-5-8-16-10(9)13-6-3-4-7-13/h3-8H,2H2,1H3,(H,12,14).
What are the key properties of ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate?
ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate has a molecular weight of 236.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate is sourced from PubChem (CID 13103674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).