ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate

C15H22N2O4S — CID 15892493

IUPACethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(N2CCC3(CC2)OCCO3)c1C
InChIInChI=1S/C15H22N2O4S/c1-3-19-14(18)11-10(2)13(22-12(11)16)17-6-4-15(5-7-17)20-8-9-21-15/h3-9,16H2,1-2H3
InChIKeyKBZNBFXPZWLYHP-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.16
Rot. Bonds3

About ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate (PubChem CID 15892493) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate
PubChem CID15892493
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(N2CCC3(CC2)OCCO3)c1C
InChIInChI=1S/C15H22N2O4S/c1-3-19-14(18)11-10(2)13(22-12(11)16)17-6-4-15(5-7-17)20-8-9-21-15/h3-9,16H2,1-2H3
InChIKeyKBZNBFXPZWLYHP-UHFFFAOYSA-N
XLogP2.16
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate
CID 15892491
ethyl 2-amino-5-(4,4-dimethyldiazet-1-yl)-4-methylthiophene-3-carboxylate
CID 146223163
ethyl 5-acetyl-4-amino-2-(1,4-oxazepan-4-yl)thiophene-3-carboxylate
CID 103421769
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate
CID 143045830
ethyl 4-acetyl-3-methyl-5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 102162758
ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
CID 86707334
ethyl 6-amino-5-cyano-4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169390614
ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103505607
ethyl 4-amino-2-(azepan-1-yl)-5-cyanothiophene-3-carboxylate
CID 103419617
ethyl 5-[4-[(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 92871405
ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103381006
ethyl 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22197305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate (CID 15892493) is ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(N)sc(N2CCC3(CC2)OCCO3)c1C.
What is the InChIKey of ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate?
The InChIKey is KBZNBFXPZWLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-19-14(18)11-10(2)13(22-12(11)16)17-6-4-15(5-7-17)20-8-9-21-15/h3-9,16H2,1-2H3.
What are the key properties of ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate?
ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 15892493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).