tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C14H21NO2S — CID 18377379

IUPACtert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCc1sc2c(c1C)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H21NO2S/c1-9-10(2)18-12-6-7-15(8-11(9)12)13(16)17-14(3,4)5/h6-8H2,1-5H3
InChIKeyMAHPLACVZOXDCL-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.66
Rot. Bonds

About tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 18377379) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID18377379
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCc1sc2c(c1C)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H21NO2S/c1-9-10(2)18-12-6-7-15(8-11(9)12)13(16)17-14(3,4)5/h6-8H2,1-5H3
InChIKeyMAHPLACVZOXDCL-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 18377379) is tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is Cc1sc2c(c1C)CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is MAHPLACVZOXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-10(2)18-12-6-7-15(8-11(9)12)13(16)17-14(3,4)5/h6-8H2,1-5H3.
What are the key properties of tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 18377379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).