(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

C14H22N4O3S — CID 124521928

IUPAC(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1
InChIInChI=1S/C14H22N4O3S/c1-2-22(19,20)18-7-3-4-14(11-18)8-12(10-21-14)17-13-9-15-5-6-16-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,16,17)/t12-,14+/m0/s1
InChIKeyNHAUQZJMCICFEG-GXTWGEPZSA-N
MW326.42 g/mol
LogP0.86
Rot. Bonds4

About (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 124521928) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID124521928
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1
InChIInChI=1S/C14H22N4O3S/c1-2-22(19,20)18-7-3-4-14(11-18)8-12(10-21-14)17-13-9-15-5-6-16-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,16,17)/t12-,14+/m0/s1
InChIKeyNHAUQZJMCICFEG-GXTWGEPZSA-N
XLogP0.86
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155869467
(3S,5S)-9-ethylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124519926
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422
(3R,5R)-7-ethylsulfonyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778009
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688428
(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124520719
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134071325
N-(3-fluoro-2-pyridinyl)-9-propylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131661660
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489493

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 124521928) is (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is CCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1.
What is the InChIKey of (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is NHAUQZJMCICFEG-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-2-22(19,20)18-7-3-4-14(11-18)8-12(10-21-14)17-13-9-15-5-6-16-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 326.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 124521928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).