N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H21NO3S — CID 123890947

IUPACN-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=C(OC)c1sccc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H21NO3S/c1-11(17-2)14-13(5-10-20-14)16-12-3-6-15(7-4-12)18-8-9-19-15/h5,10,12,16H,1,3-4,6-9H2,2H3
InChIKeyKRICVBPFUDEPAK-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.46
Rot. Bonds4

About N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 123890947) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID123890947
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=C(OC)c1sccc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H21NO3S/c1-11(17-2)14-13(5-10-20-14)16-12-3-6-15(7-4-12)18-8-9-19-15/h5,10,12,16H,1,3-4,6-9H2,2H3
InChIKeyKRICVBPFUDEPAK-UHFFFAOYSA-N
XLogP3.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 123890947) is N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine is C=C(OC)c1sccc1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KRICVBPFUDEPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11(17-2)14-13(5-10-20-14)16-12-3-6-15(7-4-12)18-8-9-19-15/h5,10,12,16H,1,3-4,6-9H2,2H3.
What are the key properties of N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methoxyethenyl)thiophen-3-yl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 123890947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).