(3,5-diethylthiophen-2-yl) N-tert-butylcarbamate

C13H21NO2S — CID 175369685

IUPAC(3,5-diethylthiophen-2-yl) N-tert-butylcarbamate
SMILESCCc1cc(CC)c(OC(=O)NC(C)(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-6-9-8-10(7-2)17-11(9)16-12(15)14-13(3,4)5/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyBXLULMWAEXQBAD-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.76
Rot. Bonds3

About (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate

(3,5-diethylthiophen-2-yl) N-tert-butylcarbamate (PubChem CID 175369685) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3,5-diethylthiophen-2-yl) N-tert-butylcarbamate
PubChem CID175369685
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(3,5-diethylthiophen-2-yl) N-tert-butylcarbamate
SMILESCCc1cc(CC)c(OC(=O)NC(C)(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-6-9-8-10(7-2)17-11(9)16-12(15)14-13(3,4)5/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyBXLULMWAEXQBAD-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate?
The IUPAC name of (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate (CID 175369685) is (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate is CCc1cc(CC)c(OC(=O)NC(C)(C)C)s1.
What is the InChIKey of (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate?
The InChIKey is BXLULMWAEXQBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-9-8-10(7-2)17-11(9)16-12(15)14-13(3,4)5/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate?
(3,5-diethylthiophen-2-yl) N-tert-butylcarbamate has a molecular weight of 255.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylthiophen-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175369685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).