N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine

C23H32N2O2S — CID 138478798

IUPACN-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCOc1ccsc1CNCC(C)C1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C23H32N2O2S/c1-18(15-24-16-20-19(26-2)8-14-28-20)23(21-7-3-6-12-25-21)11-13-27-22(17-23)9-4-5-10-22/h3,6-8,12,14,18,24H,4-5,9-11,13,15-17H2,1-2H3
InChIKeyORNVWMCUDRLIDK-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.94
Rot. Bonds7

About N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine

N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 138478798) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID138478798
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCOc1ccsc1CNCC(C)C1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C23H32N2O2S/c1-18(15-24-16-20-19(26-2)8-14-28-20)23(21-7-3-6-12-25-21)11-13-27-22(17-23)9-4-5-10-22/h3,6-8,12,14,18,24H,4-5,9-11,13,15-17H2,1-2H3
InChIKeyORNVWMCUDRLIDK-UHFFFAOYSA-N
XLogP4.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 138478798) is N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine is COc1ccsc1CNCC(C)C1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is ORNVWMCUDRLIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-18(15-24-16-20-19(26-2)8-14-28-20)23(21-7-3-6-12-25-21)11-13-27-22(17-23)9-4-5-10-22/h3,6-8,12,14,18,24H,4-5,9-11,13,15-17H2,1-2H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 400.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 138478798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).