(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane

C20H27N3OS — CID 124815069

IUPAC(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@@H](COCc2cccnc2)[C@@]2(CCN(Cc3ccsc3)C2)C1
InChIInChI=1S/C20H27N3OS/c1-22-11-19(13-24-12-17-3-2-6-21-9-17)20(15-22)5-7-23(16-20)10-18-4-8-25-14-18/h2-4,6,8-9,14,19H,5,7,10-13,15-16H2,1H3/t19-,20-/m0/s1
InChIKeyZAWVYFHOYNMJJE-PMACEKPBSA-N
MW357.52 g/mol
LogP3.11
Rot. Bonds6

About (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane

(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 124815069) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID124815069
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@@H](COCc2cccnc2)[C@@]2(CCN(Cc3ccsc3)C2)C1
InChIInChI=1S/C20H27N3OS/c1-22-11-19(13-24-12-17-3-2-6-21-9-17)20(15-22)5-7-23(16-20)10-18-4-8-25-14-18/h2-4,6,8-9,14,19H,5,7,10-13,15-16H2,1H3/t19-,20-/m0/s1
InChIKeyZAWVYFHOYNMJJE-PMACEKPBSA-N
XLogP3.11
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]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

(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
(5R,9S)-7-methyl-2-[(5-methylfuran-2-yl)methyl]-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155844740
[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone
CID 97486946
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
CID 124814501
(3-hydroxycyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 171685851
2-(2,3-difluorophenyl)-1-[(5R,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155865225
(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
6-(pyridin-3-ylmethoxymethyl)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131662626
7-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155854192
2-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171705447

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane (CID 124815069) is (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane is CN1C[C@@H](COCc2cccnc2)[C@@]2(CCN(Cc3ccsc3)C2)C1.
What is the InChIKey of (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZAWVYFHOYNMJJE-PMACEKPBSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22-11-19(13-24-12-17-3-2-6-21-9-17)20(15-22)5-7-23(16-20)10-18-4-8-25-14-18/h2-4,6,8-9,14,19H,5,7,10-13,15-16H2,1H3/t19-,20-/m0/s1.
What are the key properties of (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane?
(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 357.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124815069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).