N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H27NO4S — CID 64656262

IUPACN-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1S(=O)C1CCOCC1)OCCO2
InChIInChI=1S/C15H27NO4S/c1-2-16-13-3-6-15(19-9-10-20-15)11-14(13)21(17)12-4-7-18-8-5-12/h12-14,16H,2-11H2,1H3
InChIKeyLUNIEFIPKFZYDX-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.19
Rot. Bonds4

About N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64656262) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64656262
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC NameN-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1S(=O)C1CCOCC1)OCCO2
InChIInChI=1S/C15H27NO4S/c1-2-16-13-3-6-15(19-9-10-20-15)11-14(13)21(17)12-4-7-18-8-5-12/h12-14,16H,2-11H2,1H3
InChIKeyLUNIEFIPKFZYDX-UHFFFAOYSA-N
XLogP1.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 64656262) is N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1S(=O)C1CCOCC1)OCCO2.
What is the InChIKey of N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is LUNIEFIPKFZYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-2-16-13-3-6-15(19-9-10-20-15)11-14(13)21(17)12-4-7-18-8-5-12/h12-14,16H,2-11H2,1H3.
What are the key properties of N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 317.45 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64656262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).