tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate

C14H20N2O3S — CID 71629640

IUPACtert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccs2)C1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-7-6-10(9-16)15-12(17)11-5-4-8-20-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyKTMVUEVCTIQPBW-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate (PubChem CID 71629640) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
PubChem CID71629640
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nametert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccs2)C1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-7-6-10(9-16)15-12(17)11-5-4-8-20-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyKTMVUEVCTIQPBW-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,4R)-3-phenyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxylate
CID 90717717
tert-butyl (3R)-3-(thiophen-2-ylmethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 95765272
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
CID 55985864
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414
tert-butyl (3S)-3-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 96549415
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl (3R)-3-[[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]amino]pyrrolidine-1-carboxylate
CID 97071807

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate (CID 71629640) is tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccs2)C1.
What is the InChIKey of tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate?
The InChIKey is KTMVUEVCTIQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-7-6-10(9-16)15-12(17)11-5-4-8-20-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71629640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).