N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C15H23NO2S — CID 79894827

IUPACN-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCC(NC1CCOC2(CCSCC2)C1)c1ccco1
InChIInChI=1S/C15H23NO2S/c1-12(14-3-2-7-17-14)16-13-4-8-18-15(11-13)5-9-19-10-6-15/h2-3,7,12-13,16H,4-6,8-11H2,1H3
InChIKeyAOMQZXGRCSWUIA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79894827) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79894827
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCC(NC1CCOC2(CCSCC2)C1)c1ccco1
InChIInChI=1S/C15H23NO2S/c1-12(14-3-2-7-17-14)16-13-4-8-18-15(11-13)5-9-19-10-6-15/h2-3,7,12-13,16H,4-6,8-11H2,1H3
InChIKeyAOMQZXGRCSWUIA-UHFFFAOYSA-N
XLogP3.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81400625
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81379881
N-[1-(3-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895880
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
N-(1-pyridin-2-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895334
N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895590

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79894827) is N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CC(NC1CCOC2(CCSCC2)C1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is AOMQZXGRCSWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(14-3-2-7-17-14)16-13-4-8-18-15(11-13)5-9-19-10-6-15/h2-3,7,12-13,16H,4-6,8-11H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 281.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79894827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).