tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate

C15H18FNO2S — CID 139696810

IUPACtert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H18FNO2S/c1-9(17-14(18)19-15(2,3)4)12-7-10-5-6-11(16)8-13(10)20-12/h5-9H,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyUCTKFYYNSSFBGP-SECBINFHSA-N
MW295.38 g/mol
LogP4.63
Rot. Bonds2

About tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate (PubChem CID 139696810) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
PubChem CID139696810
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Nametert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H18FNO2S/c1-9(17-14(18)19-15(2,3)4)12-7-10-5-6-11(16)8-13(10)20-12/h5-9H,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyUCTKFYYNSSFBGP-SECBINFHSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-dehydroxyzileuton
CID 10104880
[(1S)-1-(1-benzothiophen-2-yl)ethyl]urea
CID 124389532
Propionamide, 3-boc-amino-N-[1-[2-thionaphthenyl]cyclohexyl]-
CID 398379
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031374
N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031376
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032221
n-(1-Benzo[b]thiophen-3-yl-ethyl)-formamide
CID 86224378
tert-butyl N-[4-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]-4-oxobutyl]carbamate
CID 398384
tert-butyl N-[3-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]propyl]carbamate
CID 398398
N1-[1-(5-fluorobenzo[b]thiophen-2-yl)ethyl]-N2-isopropoxycarbonyl-L-valinamide
CID 54144747
tert-butyl N-[1-(1-benzothiophen-2-yl)-4-(2,6-difluorophenyl)-4-oxobutyl]carbamate
CID 58817489
Ethyl 2-(5-fluorobenzo[b]thiophen-2-yl)ethylcarbamate
CID 66803935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate (CID 139696810) is tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1cc2ccc(F)cc2s1.
What is the InChIKey of tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
The InChIKey is UCTKFYYNSSFBGP-SECBINFHSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-9(17-14(18)19-15(2,3)4)12-7-10-5-6-11(16)8-13(10)20-12/h5-9H,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 139696810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).