(2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate

C13H19NO2S — CID 175217788

IUPAC(2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate
SMILESCc1cc(OC(=O)NC(C)(C)C)c(C2CC2)s1
InChIInChI=1S/C13H19NO2S/c1-8-7-10(11(17-8)9-5-6-9)16-12(15)14-13(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,15)
InChIKeyQHEVAVGWSAQFOV-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.82
Rot. Bonds2

About (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate

(2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate (PubChem CID 175217788) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate
PubChem CID175217788
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate
SMILESCc1cc(OC(=O)NC(C)(C)C)c(C2CC2)s1
InChIInChI=1S/C13H19NO2S/c1-8-7-10(11(17-8)9-5-6-9)16-12(15)14-13(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,15)
InChIKeyQHEVAVGWSAQFOV-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate?
The IUPAC name of (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate (CID 175217788) is (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate is Cc1cc(OC(=O)NC(C)(C)C)c(C2CC2)s1.
What is the InChIKey of (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate?
The InChIKey is QHEVAVGWSAQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8-7-10(11(17-8)9-5-6-9)16-12(15)14-13(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate?
(2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate has a molecular weight of 253.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5-methylthiophen-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175217788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).