tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate

C12H17NO2S — CID 165350176

IUPACtert-butyl 3-thiophen-2-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2cccs2)C1
InChIInChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-7-9(8-13)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3
InChIKeyVVDXSRBKYOIVGU-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.08
Rot. Bonds1

About tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate

tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate (PubChem CID 165350176) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-thiophen-2-ylazetidine-1-carboxylate
PubChem CID165350176
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nametert-butyl 3-thiophen-2-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2cccs2)C1
InChIInChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-7-9(8-13)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3
InChIKeyVVDXSRBKYOIVGU-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
Tert-butyl 4,4-difluoro-3-thiophen-2-ylpiperidine-1-carboxylate
CID 166519232
Tert-butyl 3-(5-bromothiophen-2-yl)-3-fluoroazetidine-1-carboxylate
CID 176152542
Tert-butyl 3-(5-methylthiophen-2-yl)sulfanylazetidine-1-carboxylate
CID 135044732
tert-butyl (2R)-2-ethenyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylate
CID 162398881
Trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-2-ylpyrrolidin-3-yl]boranuide
CID 168029853
Tert-butyl 4-(2-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 14772790
tert-butyl 2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine-1-carboxylate
CID 17800040
N-Boc-2-(2-thienyl)ethanamine
CID 22726825
Tert-butyl 2-(3-thiophen-2-ylprop-2-enyl)piperidine-1-carboxylate
CID 54504948
tert-Butyl 4H,5H,6H,7H,8H-thieno[2,3-d]azepine-6-carboxylate
CID 57354994

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate (CID 165350176) is tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2cccs2)C1.
What is the InChIKey of tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate?
The InChIKey is VVDXSRBKYOIVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-7-9(8-13)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate?
tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-thiophen-2-ylazetidine-1-carboxylate is sourced from PubChem (CID 165350176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).