(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C15H17NO2S — CID 129348676

IUPAC(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESCc1ccc(CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1
InChIInChI=1S/C15H17NO2S/c1-11-2-4-12(5-3-11)9-16-13(17)8-15(14(16)18)6-7-19-10-15/h2-5H,6-10H2,1H3/t15-/m1/s1
InChIKeyYJXRDVRGKRURDJ-OAHLLOKOSA-N
MW275.37 g/mol
LogP2.38
Rot. Bonds2

About (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 129348676) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID129348676
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESCc1ccc(CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1
InChIInChI=1S/C15H17NO2S/c1-11-2-4-12(5-3-11)9-16-13(17)8-15(14(16)18)6-7-19-10-15/h2-5H,6-10H2,1H3/t15-/m1/s1
InChIKeyYJXRDVRGKRURDJ-OAHLLOKOSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 75392462
(5S)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 96529375
2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 71924992
2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 84599563
(5S)-2-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 95345247
(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 97056213
(5S)-2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 94802700
(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 99798247
(5R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 97077476
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 86869008
2-[(3-bromo-4-methoxyphenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17477501
(5R)-3-[(4-methylsulfanylphenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31276425

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 129348676) is (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is Cc1ccc(CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1.
What is the InChIKey of (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is YJXRDVRGKRURDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-2-4-12(5-3-11)9-16-13(17)8-15(14(16)18)6-7-19-10-15/h2-5H,6-10H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 275.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 129348676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).