methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate

C10H13NO2S — CID 18929756

IUPACmethyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
SMILESCOC(=O)NC1CCc2sccc2C1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)11-8-2-3-9-7(6-8)4-5-14-9/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeyQZTDMWOJIYWZDM-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.96
Rot. Bonds1

About methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate

methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate (PubChem CID 18929756) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
PubChem CID18929756
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
SMILESCOC(=O)NC1CCc2sccc2C1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)11-8-2-3-9-7(6-8)4-5-14-9/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeyQZTDMWOJIYWZDM-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Formamide, N-(4,5,6,7-tetrahydrobenzo[b]thien-4-yl)-
CID 93944
Ethyl 2-(5-fluorobenzo[b]thiophen-2-yl)ethylcarbamate
CID 66803935
[2-(5-Fluoro-benzo[b]thiophen-3-yl)-ethyl]-carbamic acid ethyl ester
CID 89964025
tert-butyl N-[(5R)-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]carbamate
CID 176347674
tert-butyl N-(3-fluoro-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
CID 176348323
methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate
CID 11022135
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamate
CID 65173799
methyl N-[2-(4-thiophen-3-ylphenyl)propyl]carbamate
CID 9860371
methyl N-[(4-phenylthiophen-2-yl)methyl]carbamate
CID 11680360
methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-6-yl)carbamate
CID 16638951
methyl N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
CID 18929786
N-carbethoxy-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 19819826

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate?
The IUPAC name of methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate (CID 18929756) is methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate.
What is the SMILES notation for methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate?
The canonical SMILES for methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate is COC(=O)NC1CCc2sccc2C1.
What is the InChIKey of methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate?
The InChIKey is QZTDMWOJIYWZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(12)11-8-2-3-9-7(6-8)4-5-14-9/h4-5,8H,2-3,6H2,1H3,(H,11,12).
What are the key properties of methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate?
methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate has a molecular weight of 211.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate is sourced from PubChem (CID 18929756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).