tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate

C14H17NO2S — CID 68856186

IUPACtert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2ccsc2c1
InChIInChI=1S/C14H17NO2S/c1-14(2,3)17-13(16)15(4)11-6-5-10-7-8-18-12(10)9-11/h5-9H,1-4H3
InChIKeyZZAMRHZXUYOCPL-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.27
Rot. Bonds1

About tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate

tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate (PubChem CID 68856186) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate
PubChem CID68856186
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Nametert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2ccsc2c1
InChIInChI=1S/C14H17NO2S/c1-14(2,3)17-13(16)15(4)11-6-5-10-7-8-18-12(10)9-11/h5-9H,1-4H3
InChIKeyZZAMRHZXUYOCPL-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 58817658
Tert-butyl 4-(2-fluoro-1-benzothiophen-4-yl)piperazine-1-carboxylate
CID 146204875
Tert-butyl 4-(6-fluoro-2-methyl-1-benzothiophen-3-yl)piperazine-1-carboxylate
CID 163710584
tert-butyl N-[3-[2-[2,4-dimethyl-5-[(2Z,4E)-nona-2,4-dien-6-yn-4-yl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-propan-2-yl-1-benzothiophen-6-yl]-N-methylcarbamate
CID 178840458
tert-butyl N-[3-[2-[2,4-dimethyl-5-[(2Z,4E)-octa-2,4,6,7-tetraen-4-yl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-propan-2-yl-1-benzothiophen-6-yl]-N-methylcarbamate
CID 178840461
tert-butyl N-[3-(2,3,3,4,4,5-hexafluoro-5-methylcyclopenten-1-yl)-2-propan-2-yl-1-benzothiophen-6-yl]-N-methylcarbamate
CID 178840472
tert-butyl N-[3-[2-[2,4-dimethyl-5-(5-methylcyclohepta-1,3,4,6-tetraen-1-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-propan-2-yl-1-benzothiophen-6-yl]-N-methylcarbamate
CID 178840475
ethyl N-(1-benzothiophen-2-yl)-N-prop-2-enylcarbamate
CID 12187487
tert-butyl N-[4-(1-benzothiophen-2-yl)phenyl]carbamate
CID 85927676
2,3-dibutyl-N,N-dimethyl-1-benzothiophen-6-amine
CID 102230900
Tert-butyl 3-(1-benzothiophen-2-yl)-1,4-benzothiazine-4-carboxylate
CID 135005229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate (CID 68856186) is tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc2ccsc2c1.
What is the InChIKey of tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate?
The InChIKey is ZZAMRHZXUYOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-14(2,3)17-13(16)15(4)11-6-5-10-7-8-18-12(10)9-11/h5-9H,1-4H3.
What are the key properties of tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate?
tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate has a molecular weight of 263.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate is sourced from PubChem (CID 68856186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).