methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate

C10H11NO3S — CID 10846821

IUPACmethyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate
SMILESCOC(=O)NC1CCc2ccsc2C1=O
InChIInChI=1S/C10H11NO3S/c1-14-10(13)11-7-3-2-6-4-5-15-9(6)8(7)12/h4-5,7H,2-3H2,1H3,(H,11,13)
InChIKeySXKRRGIHGCEWES-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.60
Rot. Bonds1

About methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate

methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate (PubChem CID 10846821) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate
PubChem CID10846821
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Namemethyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate
SMILESCOC(=O)NC1CCc2ccsc2C1=O
InChIInChI=1S/C10H11NO3S/c1-14-10(13)11-7-3-2-6-4-5-15-9(6)8(7)12/h4-5,7H,2-3H2,1H3,(H,11,13)
InChIKeySXKRRGIHGCEWES-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate?
The IUPAC name of methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate (CID 10846821) is methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate.
What is the SMILES notation for methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate?
The canonical SMILES for methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate is COC(=O)NC1CCc2ccsc2C1=O.
What is the InChIKey of methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate?
The InChIKey is SXKRRGIHGCEWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-14-10(13)11-7-3-2-6-4-5-15-9(6)8(7)12/h4-5,7H,2-3H2,1H3,(H,11,13).
What are the key properties of methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate?
methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate has a molecular weight of 225.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate is sourced from PubChem (CID 10846821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).