tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate

C13H21NO2S — CID 134949716

IUPACtert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
SMILESCCC[C@H](NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-5-7-10(11-8-6-9-17-11)14-12(15)16-13(2,3)4/h6,8-10H,5,7H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyOTKLGYWPMUCADY-JTQLQIEISA-N
MW255.38 g/mol
LogP4.11
Rot. Bonds4

About tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate

tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate (PubChem CID 134949716) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
PubChem CID134949716
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nametert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
SMILESCCC[C@H](NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-5-7-10(11-8-6-9-17-11)14-12(15)16-13(2,3)4/h6,8-10H,5,7H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyOTKLGYWPMUCADY-JTQLQIEISA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate (CID 134949716) is tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate is CCC[C@H](NC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate?
The InChIKey is OTKLGYWPMUCADY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-7-10(11-8-6-9-17-11)14-12(15)16-13(2,3)4/h6,8-10H,5,7H2,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate?
tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate has a molecular weight of 255.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate is sourced from PubChem (CID 134949716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).