tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate

C14H20N2O3S — CID 71851415

IUPACtert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NCc2ccsc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-13(2,3)19-12(18)16-14(5-6-14)11(17)15-8-10-4-7-20-9-10/h4,7,9H,5-6,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJAVIDAZWORSFJT-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate

tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate (PubChem CID 71851415) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate
PubChem CID71851415
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nametert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NCc2ccsc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-13(2,3)19-12(18)16-14(5-6-14)11(17)15-8-10-4-7-20-9-10/h4,7,9H,5-6,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJAVIDAZWORSFJT-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate 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 tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate (CID 71851415) is tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)NCc2ccsc2)CC1.
What is the InChIKey of tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate?
The InChIKey is JAVIDAZWORSFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-13(2,3)19-12(18)16-14(5-6-14)11(17)15-8-10-4-7-20-9-10/h4,7,9H,5-6,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate?
tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate has a molecular weight of 296.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(thiophen-3-ylmethylcarbamoyl)cyclopropyl]carbamate is sourced from PubChem (CID 71851415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).