methyl 2-amino-5-hexylthiophene-3-carboxylate

C12H19NO2S — CID 43367145

IUPACmethyl 2-amino-5-hexylthiophene-3-carboxylate
SMILESCCCCCCc1cc(C(=O)OC)c(N)s1
InChIInChI=1S/C12H19NO2S/c1-3-4-5-6-7-9-8-10(11(13)16-9)12(14)15-2/h8H,3-7,13H2,1-2H3
InChIKeyHCAXZQKDMAHVMG-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.24
Rot. Bonds6

About methyl 2-amino-5-hexylthiophene-3-carboxylate

methyl 2-amino-5-hexylthiophene-3-carboxylate (PubChem CID 43367145) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is methyl 2-amino-5-hexylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-hexylthiophene-3-carboxylate
PubChem CID43367145
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-amino-5-hexylthiophene-3-carboxylate
SMILESCCCCCCc1cc(C(=O)OC)c(N)s1
InChIInChI=1S/C12H19NO2S/c1-3-4-5-6-7-9-8-10(11(13)16-9)12(14)15-2/h8H,3-7,13H2,1-2H3
InChIKeyHCAXZQKDMAHVMG-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 718227
CID 718227
CID 73242
CID 73242
CID 78262
CID 78262
CID 685886
CID 685886
CID 674768
CID 674768
CID 705256
CID 705256
CID 264105
CID 264105
CID 2788860
CID 2788860
CID 711175
CID 711175
CID 712411
CID 712411
CID 78263
CID 78263
CID 610241
CID 610241

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-hexylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-hexylthiophene-3-carboxylate (CID 43367145) is methyl 2-amino-5-hexylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-hexylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-hexylthiophene-3-carboxylate is CCCCCCc1cc(C(=O)OC)c(N)s1.
What is the InChIKey of methyl 2-amino-5-hexylthiophene-3-carboxylate?
The InChIKey is HCAXZQKDMAHVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-4-5-6-7-9-8-10(11(13)16-9)12(14)15-2/h8H,3-7,13H2,1-2H3.
What are the key properties of methyl 2-amino-5-hexylthiophene-3-carboxylate?
methyl 2-amino-5-hexylthiophene-3-carboxylate has a molecular weight of 241.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-hexylthiophene-3-carboxylate is sourced from PubChem (CID 43367145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).