[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H21N3O4S — CID 146186278

IUPAC[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(C2)[C@@H](C)CN(c2ccccc2)S3(=O)=O)no1
InChIInChI=1S/C18H21N3O4S/c1-13-11-21(15-6-4-3-5-7-15)26(23,24)18(13)8-9-20(12-18)17(22)16-10-14(2)25-19-16/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-,18+/m0/s1
InChIKeyLAYOYZGMAPPMRD-SCLBCKFNSA-N
MW375.45 g/mol
LogP2.05
Rot. Bonds2

About [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 146186278) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID146186278
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(C2)[C@@H](C)CN(c2ccccc2)S3(=O)=O)no1
InChIInChI=1S/C18H21N3O4S/c1-13-11-21(15-6-4-3-5-7-15)26(23,24)18(13)8-9-20(12-18)17(22)16-10-14(2)25-19-16/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-,18+/m0/s1
InChIKeyLAYOYZGMAPPMRD-SCLBCKFNSA-N
XLogP2.05
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

3-amino-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323724
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CID 51072597
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97440615
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
9-(3-fluorophenyl)-6-methyl-2-(5-methyl-1,2-oxazole-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155835268
(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
CID 162795641
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
[(3S)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129373838
N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 166297082
(5S,9S)-9-methyl-7-(5-methyl-1,2-oxazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124893271

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 146186278) is [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC[C@@]3(C2)[C@@H](C)CN(c2ccccc2)S3(=O)=O)no1.
What is the InChIKey of [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is LAYOYZGMAPPMRD-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-11-21(15-6-4-3-5-7-15)26(23,24)18(13)8-9-20(12-18)17(22)16-10-14(2)25-19-16/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-,18+/m0/s1.
What are the key properties of [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 375.45 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-methyl-1,1-dioxo-2-phenyl-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 146186278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).