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

C8H16N2O3S — CID 58245227

IUPAC4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C8H16N2O3S/c1-14(11,12)10-6-7-13-8(10)2-4-9-5-3-8/h9H,2-7H2,1H3
InChIKeyMFASQCVDMNSEHU-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.64
Rot. Bonds1

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

4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245227) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245227
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C8H16N2O3S/c1-14(11,12)10-6-7-13-8(10)2-4-9-5-3-8/h9H,2-7H2,1H3
InChIKeyMFASQCVDMNSEHU-UHFFFAOYSA-N
XLogP-0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245227) is 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCOC12CCNCC2.
What is the InChIKey of 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is MFASQCVDMNSEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(11,12)10-6-7-13-8(10)2-4-9-5-3-8/h9H,2-7H2,1H3.
What are the key properties of 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 220.29 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).