1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

C16H25NO2S — CID 105017869

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCCc1ccc(C(NC)C2CCOC3(CCSC3)C2)o1
InChIInChI=1S/C16H25NO2S/c1-3-13-4-5-14(19-13)15(17-2)12-6-8-18-16(10-12)7-9-20-11-16/h4-5,12,15,17H,3,6-11H2,1-2H3
InChIKeyISBVZHHSHPLRJZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105017869) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID105017869
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCCc1ccc(C(NC)C2CCOC3(CCSC3)C2)o1
InChIInChI=1S/C16H25NO2S/c1-3-13-4-5-14(19-13)15(17-2)12-6-8-18-16(10-12)7-9-20-11-16/h4-5,12,15,17H,3,6-11H2,1-2H3
InChIKeyISBVZHHSHPLRJZ-UHFFFAOYSA-N
XLogP3.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326044
1-(3-ethylthiophen-2-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105017996
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017725
N-methyl-1-(3-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914625
1-(5-bromothiophen-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914771
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79909488
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 102951342
1-(3-chloro-4-pyridinyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105170766
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
N-[(3-methylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017670
N-[(2-chlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908708
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692724

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 105017869) is 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is CCc1ccc(C(NC)C2CCOC3(CCSC3)C2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is ISBVZHHSHPLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-13-4-5-14(19-13)15(17-2)12-6-8-18-16(10-12)7-9-20-11-16/h4-5,12,15,17H,3,6-11H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 295.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105017869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).