tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate

C17H29N3O2S — CID 103801716

IUPACtert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
SMILESCN(C)C(CNC1CCN(C(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H29N3O2S/c1-17(2,3)22-16(21)20-9-8-13(12-20)18-11-14(19(4)5)15-7-6-10-23-15/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3
InChIKeyXDGRNSBXOHOUHL-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.95
Rot. Bonds5

About tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate (PubChem CID 103801716) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
PubChem CID103801716
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
SMILESCN(C)C(CNC1CCN(C(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H29N3O2S/c1-17(2,3)22-16(21)20-9-8-13(12-20)18-11-14(19(4)5)15-7-6-10-23-15/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3
InChIKeyXDGRNSBXOHOUHL-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]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

1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
tert-butyl 3-[[N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465730
tert-butyl (3R)-3-[[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]amino]pyrrolidine-1-carboxylate
CID 97071807
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
tert-butyl 3-[[2-(dimethylamino)-4-methylpentyl]amino]pyrrolidine-1-carboxylate
CID 103801751
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805
tert-butyl 4-[N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111028205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate (CID 103801716) is tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate is CN(C)C(CNC1CCN(C(=O)OC(C)(C)C)C1)c1cccs1.
What is the InChIKey of tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is XDGRNSBXOHOUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-17(2,3)22-16(21)20-9-8-13(12-20)18-11-14(19(4)5)15-7-6-10-23-15/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3.
What are the key properties of tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 339.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103801716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).