tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate

C12H17NO2S2 — CID 167066161

IUPACtert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate
SMILESCNc1sc2c(c1C(=O)OC(C)(C)C)CSC2
InChIInChI=1S/C12H17NO2S2/c1-12(2,3)15-11(14)9-7-5-16-6-8(7)17-10(9)13-4/h13H,5-6H2,1-4H3
InChIKeyCNFWVGAAVLUBLT-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate

tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate (PubChem CID 167066161) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate
PubChem CID167066161
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Nametert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate
SMILESCNc1sc2c(c1C(=O)OC(C)(C)C)CSC2
InChIInChI=1S/C12H17NO2S2/c1-12(2,3)15-11(14)9-7-5-16-6-8(7)17-10(9)13-4/h13H,5-6H2,1-4H3
InChIKeyCNFWVGAAVLUBLT-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 138564981
tert-butyl 2-(ethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 10496292
tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 167900659
methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate
CID 54728677
tert-butyl 2-[(4-nitrophenoxy)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126577063
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 65142616
tert-butyl 2-(2H-tetrazole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 57264016
tert-butyl 2,3,4,5,6-pentamethylbenzoate
CID 22996594
tert-butyl 2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 70427663
6-O-tert-butyl 3-O-methyl 2-acetamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 71007517
tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxylate
CID 10680818
5-acetamido-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid
CID 54425267

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate?
The IUPAC name of tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate (CID 167066161) is tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate.
What is the SMILES notation for tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate?
The canonical SMILES for tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate is CNc1sc2c(c1C(=O)OC(C)(C)C)CSC2.
What is the InChIKey of tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate?
The InChIKey is CNFWVGAAVLUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-12(2,3)15-11(14)9-7-5-16-6-8(7)17-10(9)13-4/h13H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate?
tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate has a molecular weight of 271.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)-4,6-dihydrothieno[3,4-b]thiophene-3-carboxylate is sourced from PubChem (CID 167066161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).