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

C15H23NO2S — CID 61473059

IUPACN-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(Cc1ccsc1)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H23NO2S/c1-12(10-13-4-9-19-11-13)16-14-2-5-15(6-3-14)17-7-8-18-15/h4,9,11-12,14,16H,2-3,5-8,10H2,1H3
InChIKeyPQEKYXAXTAICOD-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.95
Rot. Bonds4

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

N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 61473059) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID61473059
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(Cc1ccsc1)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H23NO2S/c1-12(10-13-4-9-19-11-13)16-14-2-5-15(6-3-14)17-7-8-18-15/h4,9,11-12,14,16H,2-3,5-8,10H2,1H3
InChIKeyPQEKYXAXTAICOD-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62842188
1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 103777050
(1S,3S)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-thiophen-2-ylbutan-1-ol
CID 99702550
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28683986
2-(1-thiophen-3-ylpropan-2-ylamino)cyclopentan-1-ol
CID 61473631
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
CID 115922577
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104814286
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473217

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 61473059) is N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC(Cc1ccsc1)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is PQEKYXAXTAICOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(10-13-4-9-19-11-13)16-14-2-5-15(6-3-14)17-7-8-18-15/h4,9,11-12,14,16H,2-3,5-8,10H2,1H3.
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 281.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 61473059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).