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

C10H15NO2S — CID 4935536

IUPACtert-butyl N-(thiophen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyPJYFEMRXRXRMSS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.77
Rot. Bonds2

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

tert-butyl N-(thiophen-2-ylmethyl)carbamate (PubChem CID 4935536) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is tert-butyl N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(thiophen-2-ylmethyl)carbamate
PubChem CID4935536
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nametert-butyl N-(thiophen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyPJYFEMRXRXRMSS-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(thiophen-2-ylmethyl)carbamate (CID 4935536) is tert-butyl N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(thiophen-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1cccs1.
What is the InChIKey of tert-butyl N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is PJYFEMRXRXRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(thiophen-2-ylmethyl)carbamate?
tert-butyl N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 213.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 4935536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).