8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C15H22N2O5S2 — CID 46195043

IUPAC8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O5S2/c1-16-9-7-15(8-10-16)17(11-12-22-15)24(20,21)14-5-3-13(4-6-14)23(2,18)19/h3-6H,7-12H2,1-2H3
InChIKeyNVDMNABQONLNLS-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.53
Rot. Bonds3

About 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 46195043) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID46195043
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O5S2/c1-16-9-7-15(8-10-16)17(11-12-22-15)24(20,21)14-5-3-13(4-6-14)23(2,18)19/h3-6H,7-12H2,1-2H3
InChIKeyNVDMNABQONLNLS-UHFFFAOYSA-N
XLogP0.53
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 46195043) is 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is NVDMNABQONLNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-16-9-7-15(8-10-16)17(11-12-22-15)24(20,21)14-5-3-13(4-6-14)23(2,18)19/h3-6H,7-12H2,1-2H3.
What are the key properties of 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 374.48 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 46195043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).