tert-butyl N-dibenzothiophen-4-ylcarbamate

C17H17NO2S — CID 10946489

IUPACtert-butyl N-dibenzothiophen-4-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1sc1ccccc12
InChIInChI=1S/C17H17NO2S/c1-17(2,3)20-16(19)18-13-9-6-8-12-11-7-4-5-10-14(11)21-15(12)13/h4-10H,1-3H3,(H,18,19)
InChIKeyIPFDGYZSZTZRGS-UHFFFAOYSA-N
MW299.40 g/mol
LogP5.40
Rot. Bonds1

About tert-butyl N-dibenzothiophen-4-ylcarbamate

tert-butyl N-dibenzothiophen-4-ylcarbamate (PubChem CID 10946489) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is tert-butyl N-dibenzothiophen-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-dibenzothiophen-4-ylcarbamate
PubChem CID10946489
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Nametert-butyl N-dibenzothiophen-4-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1sc1ccccc12
InChIInChI=1S/C17H17NO2S/c1-17(2,3)20-16(19)18-13-9-6-8-12-11-7-4-5-10-14(11)21-15(12)13/h4-10H,1-3H3,(H,18,19)
InChIKeyIPFDGYZSZTZRGS-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
tert-butyl N-(1-benzothiophen-4-yl)carbamate
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tert-butyl N-(2-hydroxyphenyl)carbamate
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tert-butyl N-(2-oxoazepin-3-yl)carbamate
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tert-butyl N-(3-methyl-1-benzothiophen-2-yl)carbamate;3-methyl-1-benzothiophene-2-carboxylic acid
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tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
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tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
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tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
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tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-dibenzothiophen-4-ylcarbamate?
The IUPAC name of tert-butyl N-dibenzothiophen-4-ylcarbamate (CID 10946489) is tert-butyl N-dibenzothiophen-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-dibenzothiophen-4-ylcarbamate?
The canonical SMILES for tert-butyl N-dibenzothiophen-4-ylcarbamate is CC(C)(C)OC(=O)Nc1cccc2c1sc1ccccc12.
What is the InChIKey of tert-butyl N-dibenzothiophen-4-ylcarbamate?
The InChIKey is IPFDGYZSZTZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-17(2,3)20-16(19)18-13-9-6-8-12-11-7-4-5-10-14(11)21-15(12)13/h4-10H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-dibenzothiophen-4-ylcarbamate?
tert-butyl N-dibenzothiophen-4-ylcarbamate has a molecular weight of 299.40 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-dibenzothiophen-4-ylcarbamate is sourced from PubChem (CID 10946489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).