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

C10H11NO3S — CID 10680716

IUPACmethyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
SMILESCOC(=O)NC1CCc2sccc2C1=O
InChIInChI=1S/C10H11NO3S/c1-14-10(13)11-7-2-3-8-6(9(7)12)4-5-15-8/h4-5,7H,2-3H2,1H3,(H,11,13)
InChIKeyOFTUQYJVAXJNOY-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.60
Rot. Bonds1

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

methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate (PubChem CID 10680716) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
PubChem CID10680716
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Namemethyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
SMILESCOC(=O)NC1CCc2sccc2C1=O
InChIInChI=1S/C10H11NO3S/c1-14-10(13)11-7-2-3-8-6(9(7)12)4-5-15-8/h4-5,7H,2-3H2,1H3,(H,11,13)
InChIKeyOFTUQYJVAXJNOY-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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Related Compounds

methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 19352269
4-oxo-N-phenyl-6,7-dihydro-5H-1-benzothiophene-5-carboxamide
CID 163822022
2-[(5R)-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl]acetic acid
CID 93493359
(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide
CID 10517928
3-oxo-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)butanoic acid
CID 90737522
5-[(dimethylamino)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one;hydrochloride
CID 118714801
9H-fluoren-9-ylmethyl N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 122234210
5-(3-ethyl-1-methylpyrazole-4-carbonyl)-6,7-dihydro-5H-1-benzothiophen-4-one
CID 102810691
propan-2-yl N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamate
CID 116655659
tert-butyl N-(4-oxo-2,3-dihydrothiochromen-3-yl)carbamate
CID 46742696
5-[(Z)-3-amino-2-(ethylideneamino)prop-2-enyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 142833263
tert-butyl N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclopropyl]carbamate
CID 107237762

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
The IUPAC name of methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate (CID 10680716) is methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate.
What is the SMILES notation for methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
The canonical SMILES for methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate is COC(=O)NC1CCc2sccc2C1=O.
What is the InChIKey of methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
The InChIKey is OFTUQYJVAXJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-14-10(13)11-7-2-3-8-6(9(7)12)4-5-15-8/h4-5,7H,2-3H2,1H3,(H,11,13).
What are the key properties of methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-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-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate is sourced from PubChem (CID 10680716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).