(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane

C15H23N3O4S — CID 97475928

IUPAC(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1
InChIInChI=1S/C15H23N3O4S/c1-23(19,20)18-7-2-15(3-8-18)4-9-21-11-13(15)12-22-14-10-16-5-6-17-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3/t13-/m1/s1
InChIKeyOKXUOUVIYUFHNT-CYBMUJFWSA-N
MW341.43 g/mol
LogP0.93
Rot. Bonds4

About (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane

(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97475928) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97475928
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1
InChIInChI=1S/C15H23N3O4S/c1-23(19,20)18-7-2-15(3-8-18)4-9-21-11-13(15)12-22-14-10-16-5-6-17-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3/t13-/m1/s1
InChIKeyOKXUOUVIYUFHNT-CYBMUJFWSA-N
XLogP0.93
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131680558
5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 131650714
(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97483738
N,N-dimethyl-2-[[(5R)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476480
N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476479
cyclopent-3-en-1-yl-[5-(pyridin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131661809
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
cyclopent-3-en-1-yl-[(5S)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97476184
9-(pyridin-4-ylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 131662657

Frequently Asked Questions

What is the IUPAC name of (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 97475928) is (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane is CS(=O)(=O)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1.
What is the InChIKey of (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is OKXUOUVIYUFHNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-23(19,20)18-7-2-15(3-8-18)4-9-21-11-13(15)12-22-14-10-16-5-6-17-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 341.43 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97475928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).