tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate

C13H21NO2S — CID 79488115

IUPACtert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate
SMILESCC(Cc1cccs1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2S/c1-10(9-11-7-6-8-17-11)14(5)12(15)16-13(2,3)4/h6-8,10H,9H2,1-5H3
InChIKeyYUJUTULBMJRJCQ-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate

tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate (PubChem CID 79488115) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate
PubChem CID79488115
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nametert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate
SMILESCC(Cc1cccs1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2S/c1-10(9-11-7-6-8-17-11)14(5)12(15)16-13(2,3)4/h6-8,10H,9H2,1-5H3
InChIKeyYUJUTULBMJRJCQ-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate (CID 79488115) is tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate is CC(Cc1cccs1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
The InChIKey is YUJUTULBMJRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(9-11-7-6-8-17-11)14(5)12(15)16-13(2,3)4/h6-8,10H,9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate has a molecular weight of 255.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate is sourced from PubChem (CID 79488115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).