(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C17H27N3O2S — CID 97473987

IUPAC(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(Cc3scnc3C)CC2)[C@@H](COC)C1=O
InChIInChI=1S/C17H27N3O2S/c1-4-20-11-17(14(10-22-3)16(20)21)5-7-19(8-6-17)9-15-13(2)18-12-23-15/h12,14H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyCLVZYPLUSFWNNM-AWEZNQCLSA-N
MW337.49 g/mol
LogP2.16
Rot. Bonds5

About (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97473987) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97473987
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(Cc3scnc3C)CC2)[C@@H](COC)C1=O
InChIInChI=1S/C17H27N3O2S/c1-4-20-11-17(14(10-22-3)16(20)21)5-7-19(8-6-17)9-15-13(2)18-12-23-15/h12,14H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyCLVZYPLUSFWNNM-AWEZNQCLSA-N
XLogP2.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4S)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-methyl-1,3-thiazole
CID 124811620
2-ethyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 155830778
1-[4-hydroxy-3,3-dimethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 155987928
(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97476318
2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131661990
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64953207
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110114381
(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97476713
9-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131922228
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 125220060

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97473987) is (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(Cc3scnc3C)CC2)[C@@H](COC)C1=O.
What is the InChIKey of (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CLVZYPLUSFWNNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-20-11-17(14(10-22-3)16(20)21)5-7-19(8-6-17)9-15-13(2)18-12-23-15/h12,14H,4-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 337.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97473987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).