(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane

C16H24N2O4S — CID 97451863

IUPAC(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1
InChIInChI=1S/C16H24N2O4S/c1-23(19,20)18-9-10-22-16(13-18)7-4-5-14(16)11-21-12-15-6-2-3-8-17-15/h2-3,6,8,14H,4-5,7,9-13H2,1H3/t14-,16+/m0/s1
InChIKeyBJIBZBWMBKCPAQ-GOEBONIOSA-N
MW340.44 g/mol
LogP1.43
Rot. Bonds5

About (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane

(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97451863) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID97451863
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1
InChIInChI=1S/C16H24N2O4S/c1-23(19,20)18-9-10-22-16(13-18)7-4-5-14(16)11-21-12-15-6-2-3-8-17-15/h2-3,6,8,14H,4-5,7,9-13H2,1H3/t14-,16+/m0/s1
InChIKeyBJIBZBWMBKCPAQ-GOEBONIOSA-N
XLogP1.43
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

(8R)-2-ethylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124895164
(8S)-N,N-dimethyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805483
(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451848
(8R)-2-methylsulfonyl-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124782572
(4aS,8aR)-6-methylsulfonyl-4a-(pyridin-2-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810773
(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124781639
3-methyl-1-[8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
CID 131669286
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
(4S,5S)-9-ethylsulfonyl-4-(prop-2-enoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375150
(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 97452416
(4-methyl-1,3-oxazol-5-yl)-[(8S)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124812733
(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912995

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane (CID 97451863) is (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane is CS(=O)(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1.
What is the InChIKey of (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is BJIBZBWMBKCPAQ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(19,20)18-9-10-22-16(13-18)7-4-5-14(16)11-21-12-15-6-2-3-8-17-15/h2-3,6,8,14H,4-5,7,9-13H2,1H3/t14-,16+/m0/s1.
What are the key properties of (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 340.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97451863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).