7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

C11H18N4O3S — CID 148549246

IUPAC7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC1CC2(CCN1)CNS(=O)(=O)N2Cc1ccno1
InChIInChI=1S/C11H18N4O3S/c1-9-6-11(3-5-12-9)8-14-19(16,17)15(11)7-10-2-4-13-18-10/h2,4,9,12,14H,3,5-8H2,1H3
InChIKeyFCWVIVHBYIWWEL-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.16
Rot. Bonds2

About 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 148549246) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID148549246
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC1CC2(CCN1)CNS(=O)(=O)N2Cc1ccno1
InChIInChI=1S/C11H18N4O3S/c1-9-6-11(3-5-12-9)8-14-19(16,17)15(11)7-10-2-4-13-18-10/h2,4,9,12,14H,3,5-8H2,1H3
InChIKeyFCWVIVHBYIWWEL-UHFFFAOYSA-N
XLogP-0.16
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 148549246) is 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CC1CC2(CCN1)CNS(=O)(=O)N2Cc1ccno1.
What is the InChIKey of 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is FCWVIVHBYIWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-9-6-11(3-5-12-9)8-14-19(16,17)15(11)7-10-2-4-13-18-10/h2,4,9,12,14H,3,5-8H2,1H3.
What are the key properties of 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 286.36 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(1,2-oxazol-5-ylmethyl)-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 148549246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).