9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

C16H24N2O5S2 — CID 118739683

IUPAC9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCCC3(CCCN3S(C)(=O)=O)C2)cc1
InChIInChI=1S/C16H24N2O5S2/c1-23-14-5-7-15(8-6-14)25(21,22)17-11-3-9-16(13-17)10-4-12-18(16)24(2,19)20/h5-8H,3-4,9-13H2,1-2H3
InChIKeyDXWCEWMFYZUUPK-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.27
Rot. Bonds4

About 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (PubChem CID 118739683) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
PubChem CID118739683
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCCC3(CCCN3S(C)(=O)=O)C2)cc1
InChIInChI=1S/C16H24N2O5S2/c1-23-14-5-7-15(8-6-14)25(21,22)17-11-3-9-16(13-17)10-4-12-18(16)24(2,19)20/h5-8H,3-4,9-13H2,1-2H3
InChIKeyDXWCEWMFYZUUPK-UHFFFAOYSA-N
XLogP1.27
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (CID 118739683) is 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCCC3(CCCN3S(C)(=O)=O)C2)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The InChIKey is DXWCEWMFYZUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-23-14-5-7-15(8-6-14)25(21,22)17-11-3-9-16(13-17)10-4-12-18(16)24(2,19)20/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane has a molecular weight of 388.51 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).