(8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

C16H25N3O4S — CID 124893630

IUPAC(8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)CCN1CC2(C[C@@H](Oc3nccc(C)n3)CCO2)C1
InChIInChI=1S/C16H25N3O4S/c1-3-24(20,21)9-7-19-11-16(12-19)10-14(5-8-22-16)23-15-17-6-4-13(2)18-15/h4,6,14H,3,5,7-12H2,1-2H3/t14-/m0/s1
InChIKeyPGGOWERAUDVHJM-AWEZNQCLSA-N
MW355.46 g/mol
LogP0.83
Rot. Bonds6

About (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893630) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893630
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)CCN1CC2(C[C@@H](Oc3nccc(C)n3)CCO2)C1
InChIInChI=1S/C16H25N3O4S/c1-3-24(20,21)9-7-19-11-16(12-19)10-14(5-8-22-16)23-15-17-6-4-13(2)18-15/h4,6,14H,3,5,7-12H2,1-2H3/t14-/m0/s1
InChIKeyPGGOWERAUDVHJM-AWEZNQCLSA-N
XLogP0.83
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155832916
2-(2-Ethylsulfonylethyl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155868677
N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124814561
N,N-dimethyl-6-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124814563
(8S)-2-(cyclobutylmethyl)-8-[(4-methylpyrimidin-2-yl)oxymethyl]-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124893479
(8R)-2-(cyclobutylmethyl)-8-[(4-methylpyrimidin-2-yl)oxymethyl]-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124893480
(8S)-2-(cyclopropylmethyl)-8-[(4-methylpyrimidin-2-yl)oxymethyl]-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124893524
(8R)-2-(cyclopropylmethyl)-8-[(4-methylpyrimidin-2-yl)oxymethyl]-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124893525
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893559
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893560
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124893561
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124893562

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (CID 124893630) is (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is CCS(=O)(=O)CCN1CC2(C[C@@H](Oc3nccc(C)n3)CCO2)C1.
What is the InChIKey of (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is PGGOWERAUDVHJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-24(20,21)9-7-19-11-16(12-19)10-14(5-8-22-16)23-15-17-6-4-13(2)18-15/h4,6,14H,3,5,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 355.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(2-ethylsulfonylethyl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).