3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C9H18N2O3S — CID 70954562

IUPAC3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC1COC2(CCN(S(C)(=O)=O)CC2)N1
InChIInChI=1S/C9H18N2O3S/c1-8-7-14-9(10-8)3-5-11(6-4-9)15(2,12)13/h8,10H,3-7H2,1-2H3
InChIKeyFXXGICYCKIPKTP-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.25
Rot. Bonds1

About 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 70954562) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID70954562
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC1COC2(CCN(S(C)(=O)=O)CC2)N1
InChIInChI=1S/C9H18N2O3S/c1-8-7-14-9(10-8)3-5-11(6-4-9)15(2,12)13/h8,10H,3-7H2,1-2H3
InChIKeyFXXGICYCKIPKTP-UHFFFAOYSA-N
XLogP-0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 70954562) is 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CC1COC2(CCN(S(C)(=O)=O)CC2)N1.
What is the InChIKey of 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is FXXGICYCKIPKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8-7-14-9(10-8)3-5-11(6-4-9)15(2,12)13/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 234.32 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70954562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).