ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate

C11H11NO3S — CID 15381204

IUPACethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate
SMILESCCOC(=O)Nc1csc2cc(O)ccc12
InChIInChI=1S/C11H11NO3S/c1-2-15-11(14)12-9-6-16-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3,(H,12,14)
InChIKeyLFUKAWNPCCNISL-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.18
Rot. Bonds2

About ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate

ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate (PubChem CID 15381204) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate
PubChem CID15381204
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Nameethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate
SMILESCCOC(=O)Nc1csc2cc(O)ccc12
InChIInChI=1S/C11H11NO3S/c1-2-15-11(14)12-9-6-16-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3,(H,12,14)
InChIKeyLFUKAWNPCCNISL-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate?
The IUPAC name of ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate (CID 15381204) is ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate.
What is the SMILES notation for ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate?
The canonical SMILES for ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate is CCOC(=O)Nc1csc2cc(O)ccc12.
What is the InChIKey of ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate?
The InChIKey is LFUKAWNPCCNISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-2-15-11(14)12-9-6-16-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3,(H,12,14).
What are the key properties of ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate?
ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate has a molecular weight of 237.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate is sourced from PubChem (CID 15381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).