N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

C25H30N2O2S — CID 129158664

IUPACN-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESc1ccc([C@]2(CCNCc3ccc(-c4ccco4)s3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C25H30N2O2S/c1-4-14-27-23(7-1)24(13-17-29-25(19-24)10-2-3-11-25)12-15-26-18-20-8-9-22(30-20)21-6-5-16-28-21/h1,4-9,14,16,26H,2-3,10-13,15,17-19H2/t24-/m1/s1
InChIKeyNOTSUOAMSWNRBK-XMMPIXPASA-N
MW422.59 g/mol
LogP5.94
Rot. Bonds7

About N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 129158664) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
PubChem CID129158664
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC NameN-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESc1ccc([C@]2(CCNCc3ccc(-c4ccco4)s3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C25H30N2O2S/c1-4-14-27-23(7-1)24(13-17-29-25(19-24)10-2-3-11-25)12-15-26-18-20-8-9-22(30-20)21-6-5-16-28-21/h1,4-9,14,16,26H,2-3,10-13,15,17-19H2/t24-/m1/s1
InChIKeyNOTSUOAMSWNRBK-XMMPIXPASA-N
XLogP5.94
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The IUPAC name of N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 129158664) is N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is c1ccc([C@]2(CCNCc3ccc(-c4ccco4)s3)CCOC3(CCCC3)C2)nc1.
What is the InChIKey of N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The InChIKey is NOTSUOAMSWNRBK-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-4-14-27-23(7-1)24(13-17-29-25(19-24)10-2-3-11-25)12-15-26-18-20-8-9-22(30-20)21-6-5-16-28-21/h1,4-9,14,16,26H,2-3,10-13,15,17-19H2/t24-/m1/s1.
What are the key properties of N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 422.59 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 129158664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).