(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

C17H24N2O4S — CID 97418466

IUPAC(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2
InChIInChI=1S/C17H24N2O4S/c20-24(21,15-4-5-15)19-9-6-17(7-10-19)11-14(23-13-17)12-22-16-3-1-2-8-18-16/h1-3,8,14-15H,4-7,9-13H2/t14-/m1/s1
InChIKeyRZYQMSCHLSMDCE-CQSZACIVSA-N
MW352.46 g/mol
LogP1.82
Rot. Bonds5

About (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97418466) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID97418466
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2
InChIInChI=1S/C17H24N2O4S/c20-24(21,15-4-5-15)19-9-6-17(7-10-19)11-14(23-13-17)12-22-16-3-1-2-8-18-16/h1-3,8,14-15H,4-7,9-13H2/t14-/m1/s1
InChIKeyRZYQMSCHLSMDCE-CQSZACIVSA-N
XLogP1.82
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
8-(furan-3-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131655040
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449
(1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118745219
[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837995
6-cyclopropylsulfonyl-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131657577
(4aS,8aS)-6-cyclopropylsulfonyl-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124519805
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
(4S,5S)-7-cyclopropylsulfonyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155831381
8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014

Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 97418466) is (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is O=S(=O)(C1CC1)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2.
What is the InChIKey of (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is RZYQMSCHLSMDCE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-24(21,15-4-5-15)19-9-6-17(7-10-19)11-14(23-13-17)12-22-16-3-1-2-8-18-16/h1-3,8,14-15H,4-7,9-13H2/t14-/m1/s1.
What are the key properties of (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 352.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).