oxan-2-ylmethyl 3-aminothiophene-2-carboxylate

C11H15NO3S — CID 61308304

IUPACoxan-2-ylmethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCC1CCCCO1
InChIInChI=1S/C11H15NO3S/c12-9-4-6-16-10(9)11(13)15-7-8-3-1-2-5-14-8/h4,6,8H,1-3,5,7,12H2
InChIKeyOQCDLRNVPAPRIM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.06
Rot. Bonds3

About oxan-2-ylmethyl 3-aminothiophene-2-carboxylate

oxan-2-ylmethyl 3-aminothiophene-2-carboxylate (PubChem CID 61308304) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is oxan-2-ylmethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 3-aminothiophene-2-carboxylate
PubChem CID61308304
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Nameoxan-2-ylmethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCC1CCCCO1
InChIInChI=1S/C11H15NO3S/c12-9-4-6-16-10(9)11(13)15-7-8-3-1-2-5-14-8/h4,6,8H,1-3,5,7,12H2
InChIKeyOQCDLRNVPAPRIM-UHFFFAOYSA-N
XLogP2.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxan-2-ylmethyl 4-amino-3-methoxybenzoate
CID 104783910
oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599251
(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 61115634
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxan-2-ylmethyl 4-thiophen-2-ylbutanoate
CID 78790137

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of oxan-2-ylmethyl 3-aminothiophene-2-carboxylate (CID 61308304) is oxan-2-ylmethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 3-aminothiophene-2-carboxylate is Nc1ccsc1C(=O)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 3-aminothiophene-2-carboxylate?
The InChIKey is OQCDLRNVPAPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c12-9-4-6-16-10(9)11(13)15-7-8-3-1-2-5-14-8/h4,6,8H,1-3,5,7,12H2.
What are the key properties of oxan-2-ylmethyl 3-aminothiophene-2-carboxylate?
oxan-2-ylmethyl 3-aminothiophene-2-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 61308304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).