tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate

C14H21NO2S — CID 70329313

IUPACtert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1ccsc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-7-4-5-12(15)9-11-6-8-18-10-11/h6,8,10,12H,4-5,7,9H2,1-3H3
InChIKeyCVHQKCDTVOEVDA-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.69
Rot. Bonds2

About tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 70329313) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID70329313
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1ccsc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-7-4-5-12(15)9-11-6-8-18-10-11/h6,8,10,12H,4-5,7,9H2,1-3H3
InChIKeyCVHQKCDTVOEVDA-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-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 4-(thiophen-3-yl)piperidine-1-carboxylate
CID 53426264
methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate
CID 164634089
tert-butyl (2S)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 11064948
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666
tert-butyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 101957249
tert-butyl (2R)-4-methylidene-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 131228499
tert-butyl (2R)-2-ethenyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylate
CID 162398881
2,2,2-Trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 65173720
Tert-butyl 3-[(fluorosulfonyl)methyl]-4-(thiophen-3-yl)pyrrolidine-1-carboxylate
CID 165518778
Trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-3-ylpyrrolidin-3-yl]boranuide
CID 168029859
tert-Butyl 2-(thiophen-2-yl)pyrrolidine-1-carboxylate
CID 10753392
tert-butyl (4R)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)-1,3-oxazolidine-3-carboxylate
CID 9966504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate (CID 70329313) is tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1Cc1ccsc1.
What is the InChIKey of tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is CVHQKCDTVOEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-7-4-5-12(15)9-11-6-8-18-10-11/h6,8,10,12H,4-5,7,9H2,1-3H3.
What are the key properties of tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70329313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).