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

C13H20N2O2S — CID 82098114

IUPACmethyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCCCN1CCc2c(sc(N)c2C(=O)OC)C1
InChIInChI=1S/C13H20N2O2S/c1-3-4-6-15-7-5-9-10(8-15)18-12(14)11(9)13(16)17-2/h3-8,14H2,1-2H3
InChIKeyZDOUIGLMFMNOTI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.28
Rot. Bonds4

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

methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 82098114) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID82098114
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCCCN1CCc2c(sc(N)c2C(=O)OC)C1
InChIInChI=1S/C13H20N2O2S/c1-3-4-6-15-7-5-9-10(8-15)18-12(14)11(9)13(16)17-2/h3-8,14H2,1-2H3
InChIKeyZDOUIGLMFMNOTI-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098115
ethyl 2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 155090726
2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 175569883
ethyl 2-amino-6-(4-oxo-4-phenylbutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464681
ethyl 2-amino-6-[3-(4-chlorophenyl)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464823
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 43367365
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
CID 65354949
ethyl 2-amino-6-(cyanomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098093
methyl 2-amino-5-benzyl-4,6-dihydrothieno[2,3-c]pyrrole-3-carboxylate
CID 71777880
methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950005
2-amino-6-methyl-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43174797
1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 65354678

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 82098114) is methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCCCN1CCc2c(sc(N)c2C(=O)OC)C1.
What is the InChIKey of methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is ZDOUIGLMFMNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-4-6-15-7-5-9-10(8-15)18-12(14)11(9)13(16)17-2/h3-8,14H2,1-2H3.
What are the key properties of methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 82098114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).