(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane

C19H24N2O2S — CID 97419500

IUPAC(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESc1cncc(CO[C@H]2CO[C@@]3(CCCN(Cc4cccs4)C3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-4-16(11-20-7-1)13-22-17-10-19(23-14-17)6-3-8-21(15-19)12-18-5-2-9-24-18/h1-2,4-5,7,9,11,17H,3,6,8,10,12-15H2/t17-,19+/m1/s1
InChIKeySSKWFHOGUFVRTO-MJGOQNOKSA-N
MW344.48 g/mol
LogP3.48
Rot. Bonds5

About (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane

(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419500) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419500
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESc1cncc(CO[C@H]2CO[C@@]3(CCCN(Cc4cccs4)C3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-4-16(11-20-7-1)13-22-17-10-19(23-14-17)6-3-8-21(15-19)12-18-5-2-9-24-18/h1-2,4-5,7,9,11,17H,3,6,8,10,12-15H2/t17-,19+/m1/s1
InChIKeySSKWFHOGUFVRTO-MJGOQNOKSA-N
XLogP3.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane 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

(3S,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419730
9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 134071292
(3R,5S)-3-prop-2-enoxy-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97371548
(3S,5S)-9-[(5-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155831618
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
3-imidazol-1-yl-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 131641774
7-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 134073918
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane (CID 97419500) is (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane is c1cncc(CO[C@H]2CO[C@@]3(CCCN(Cc4cccs4)C3)C2)c1.
What is the InChIKey of (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is SSKWFHOGUFVRTO-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-16(11-20-7-1)13-22-17-10-19(23-14-17)6-3-8-21(15-19)12-18-5-2-9-24-18/h1-2,4-5,7,9,11,17H,3,6,8,10,12-15H2/t17-,19+/m1/s1.
What are the key properties of (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 344.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).