(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone

C13H19N3O4S — CID 118739236

IUPAC(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone
SMILESCS(=O)(=O)N1CCCC12CCCN(C(=O)c1ccno1)C2
InChIInChI=1S/C13H19N3O4S/c1-21(18,19)16-9-3-6-13(16)5-2-8-15(10-13)12(17)11-4-7-14-20-11/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyYMLLFNLIYWCNNP-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.70
Rot. Bonds2

About (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone

(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone (PubChem CID 118739236) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone
PubChem CID118739236
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone
SMILESCS(=O)(=O)N1CCCC12CCCN(C(=O)c1ccno1)C2
InChIInChI=1S/C13H19N3O4S/c1-21(18,19)16-9-3-6-13(16)5-2-8-15(10-13)12(17)11-4-7-14-20-11/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyYMLLFNLIYWCNNP-UHFFFAOYSA-N
XLogP0.70
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone?
The IUPAC name of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone (CID 118739236) is (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone is CS(=O)(=O)N1CCCC12CCCN(C(=O)c1ccno1)C2.
What is the InChIKey of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone?
The InChIKey is YMLLFNLIYWCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-21(18,19)16-9-3-6-13(16)5-2-8-15(10-13)12(17)11-4-7-14-20-11/h4,7H,2-3,5-6,8-10H2,1H3.
What are the key properties of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone?
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 118739236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).