tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate

C11H17NO2S — CID 63790264

IUPACtert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCN(Cc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12(4)8-9-6-5-7-15-9/h5-7H,8H2,1-4H3
InChIKeyUJTCKDRHDGJIIZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.12
Rot. Bonds2

About tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate

tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 63790264) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID63790264
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nametert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCN(Cc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12(4)8-9-6-5-7-15-9/h5-7H,8H2,1-4H3
InChIKeyUJTCKDRHDGJIIZ-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.12
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-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate (CID 63790264) is tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate is CN(Cc1cccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is UJTCKDRHDGJIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12(4)8-9-6-5-7-15-9/h5-7H,8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate?
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 227.33 g/mol, XLogP of 3.12, 2 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-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 63790264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).