8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H18N4O5S — CID 42065050

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C13H18N4O5S/c1-8-10(9(2)22-15-8)23(20,21)17-6-4-13(5-7-17)11(18)16(3)12(19)14-13/h4-7H2,1-3H3,(H,14,19)
InChIKeyWQHJWGZBVCIEQL-UHFFFAOYSA-N
MW342.38 g/mol
LogP-0.00
Rot. Bonds2

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 42065050) has the molecular formula C13H18N4O5S and a molecular weight of 342.38 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID42065050
Molecular FormulaC13H18N4O5S
Molecular Weight342.38 g/mol
Exact Mass342.10
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C13H18N4O5S/c1-8-10(9(2)22-15-8)23(20,21)17-6-4-13(5-7-17)11(18)16(3)12(19)14-13/h4-7H2,1-3H3,(H,14,19)
InChIKeyWQHJWGZBVCIEQL-UHFFFAOYSA-N
XLogP-0.00
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72861309
3-methyl-8-(5-methylthiophen-2-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110713834
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176973
(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104210
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97139553
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 66203511
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16896776
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 42065050) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WQHJWGZBVCIEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5S/c1-8-10(9(2)22-15-8)23(20,21)17-6-4-13(5-7-17)11(18)16(3)12(19)14-13/h4-7H2,1-3H3,(H,14,19).
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 342.38 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42065050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).