(2-methylthiophen-3-yl) N-tert-butylcarbamate

C10H15NO2S — CID 175218719

IUPAC(2-methylthiophen-3-yl) N-tert-butylcarbamate
SMILESCc1sccc1OC(=O)NC(C)(C)C
InChIInChI=1S/C10H15NO2S/c1-7-8(5-6-14-7)13-9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyYUXPJLZLEMUGQN-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.94
Rot. Bonds1

About (2-methylthiophen-3-yl) N-tert-butylcarbamate

(2-methylthiophen-3-yl) N-tert-butylcarbamate (PubChem CID 175218719) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2-methylthiophen-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-methylthiophen-3-yl) N-tert-butylcarbamate
PubChem CID175218719
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2-methylthiophen-3-yl) N-tert-butylcarbamate
SMILESCc1sccc1OC(=O)NC(C)(C)C
InChIInChI=1S/C10H15NO2S/c1-7-8(5-6-14-7)13-9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyYUXPJLZLEMUGQN-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl) N-tert-butylcarbamate?
The IUPAC name of (2-methylthiophen-3-yl) N-tert-butylcarbamate (CID 175218719) is (2-methylthiophen-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2-methylthiophen-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (2-methylthiophen-3-yl) N-tert-butylcarbamate is Cc1sccc1OC(=O)NC(C)(C)C.
What is the InChIKey of (2-methylthiophen-3-yl) N-tert-butylcarbamate?
The InChIKey is YUXPJLZLEMUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-8(5-6-14-7)13-9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12).
What are the key properties of (2-methylthiophen-3-yl) N-tert-butylcarbamate?
(2-methylthiophen-3-yl) N-tert-butylcarbamate has a molecular weight of 213.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175218719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).