tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate

C15H21NO2S — CID 166052409

IUPACtert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate
SMILESCc1csc2c1c(C(C)C)cn2C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2S/c1-9(2)11-7-16(14(17)18-15(4,5)6)13-12(11)10(3)8-19-13/h7-9H,1-6H3
InChIKeyFHQNSOWCKUQEEF-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.92
Rot. Bonds1

About tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate

tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate (PubChem CID 166052409) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate
PubChem CID166052409
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Nametert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate
SMILESCc1csc2c1c(C(C)C)cn2C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2S/c1-9(2)11-7-16(14(17)18-15(4,5)6)13-12(11)10(3)8-19-13/h7-9H,1-6H3
InChIKeyFHQNSOWCKUQEEF-UHFFFAOYSA-N
XLogP4.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol
CID 167236991
tert-butyl 5-methyl-4-propan-2-ylpyrazole-1-carboxylate
CID 165371899
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl 4-bromo-3-chloro-5,7-dimethylindole-1-carboxylate
CID 169209538
tert-butyl 2-formyl-3,4-dimethylpyrrole-1-carboxylate
CID 86586103
tert-butyl 2-bromo-4-methylpyrrole-1-carboxylate
CID 139840271
tert-butyl 4-formyl-2-propan-2-ylimidazole-1-carboxylate
CID 130115488
tert-butyl 4-iodo-2-methylimidazole-1-carboxylate
CID 178024038
tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 155226204
tert-butyl 3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
CID 155662468
tert-butyl 2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 133054973
tert-butyl 4-(2-methoxy-2-oxoacetyl)thieno[2,3-b]pyrrole-6-carboxylate
CID 57481619

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate (CID 166052409) is tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate is Cc1csc2c1c(C(C)C)cn2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate?
The InChIKey is FHQNSOWCKUQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-9(2)11-7-16(14(17)18-15(4,5)6)13-12(11)10(3)8-19-13/h7-9H,1-6H3.
What are the key properties of tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate?
tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate has a molecular weight of 279.41 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-propan-2-ylthieno[2,3-b]pyrrole-6-carboxylate is sourced from PubChem (CID 166052409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).