tert-butyl N-(1-benzothiophen-3-yl)carbamate

C13H15NO2S — CID 13182768

IUPACtert-butyl N-(1-benzothiophen-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1csc2ccccc12
InChIInChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15)
InChIKeyFIERANRXVQECJU-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.25
Rot. Bonds1

About tert-butyl N-(1-benzothiophen-3-yl)carbamate

tert-butyl N-(1-benzothiophen-3-yl)carbamate (PubChem CID 13182768) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is tert-butyl N-(1-benzothiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzothiophen-3-yl)carbamate
PubChem CID13182768
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Nametert-butyl N-(1-benzothiophen-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1csc2ccccc12
InChIInChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15)
InChIKeyFIERANRXVQECJU-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzothiophen-4-yl)carbamate
CID 18542532
tert-butyl N-dibenzothiophen-4-ylcarbamate
CID 10946489
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl 2-[[4-[4-(1-benzothiophen-3-ylcarbamoyloxy)phenyl]phenyl]sulfonylamino]-3-methylbutanoate
CID 67110442
(2S)-3-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2761477
tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate
CID 114749441
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597
N-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-3-carboxamide
CID 82726518
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
CID 12668805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzothiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzothiophen-3-yl)carbamate (CID 13182768) is tert-butyl N-(1-benzothiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzothiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzothiophen-3-yl)carbamate is CC(C)(C)OC(=O)Nc1csc2ccccc12.
What is the InChIKey of tert-butyl N-(1-benzothiophen-3-yl)carbamate?
The InChIKey is FIERANRXVQECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(1-benzothiophen-3-yl)carbamate?
tert-butyl N-(1-benzothiophen-3-yl)carbamate has a molecular weight of 249.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzothiophen-3-yl)carbamate is sourced from PubChem (CID 13182768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).