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

C11H15NO2S — CID 141432076

IUPACtert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ccsc2C1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-6-8-4-5-15-9(8)7-12/h4-5H,6-7H2,1-3H3
InChIKeyUPKVGUNNQIJXBZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.00
Rot. Bonds

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

tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate (PubChem CID 141432076) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
PubChem CID141432076
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nametert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ccsc2C1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-6-8-4-5-15-9(8)7-12/h4-5H,6-7H2,1-3H3
InChIKeyUPKVGUNNQIJXBZ-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl 8-oxo-6,7-dihydro-4H-thieno[3,2-c]azepine-5-carboxylate
CID 71305794
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-7-carboxylic acid
CID 71305662
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 82379362
tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
CID 172906467
2-O-tert-butyl 5-O,6-O-dimethyl 1,3-dihydroisoindole-2,5,6-tricarboxylate
CID 154730420
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 57415656
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-5-yl]-2-oxoacetic acid
CID 135388079
tert-butyl 5-(sulfanylmethyl)-1,3-dihydroisoindole-2-carboxylate
CID 129155247
tert-butyl 5-propanoyl-1,3-dihydroisoindole-2-carboxylate
CID 154559806
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate (CID 141432076) is tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2ccsc2C1.
What is the InChIKey of tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The InChIKey is UPKVGUNNQIJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-6-8-4-5-15-9(8)7-12/h4-5H,6-7H2,1-3H3.
What are the key properties of tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 141432076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).