tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate

C14H21NO2S — CID 146657601

IUPACtert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)C1c2sccc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-9(2)11-12-10(6-7-18-12)8-15(11)13(16)17-14(3,4)5/h6-7,9,11H,8H2,1-5H3
InChIKeyMAQITLCFMRIERF-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.20
Rot. Bonds1

About tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate

tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate (PubChem CID 146657601) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
PubChem CID146657601
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)C1c2sccc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-9(2)11-12-10(6-7-18-12)8-15(11)13(16)17-14(3,4)5/h6-7,9,11H,8H2,1-5H3
InChIKeyMAQITLCFMRIERF-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
tert-Butyl 2-(aminomethyl)-4H-thieno[2,3-c]pyrrole-5(6H)-carboxylate
CID 155897007
7-Methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 137999284
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CID 24813332
tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate
CID 24813472
tert-butyl N-[cyclohex-2-en-1-yl(thiophen-2-yl)methyl]-N-hydroxycarbamate
CID 24813621
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666
tert-butyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 101957249
tert-butyl (3R)-3-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129425463
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate (CID 146657601) is tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate is CC(C)C1c2sccc2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The InChIKey is MAQITLCFMRIERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9(2)11-12-10(6-7-18-12)8-15(11)13(16)17-14(3,4)5/h6-7,9,11H,8H2,1-5H3.
What are the key properties of tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 146657601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).