8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C19H28N2O6S2 — CID 3221368

IUPAC8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1
InChIInChI=1S/C19H28N2O6S2/c1-16-3-2-10-21(15-16)29(24,25)18-6-4-17(5-7-18)28(22,23)20-11-8-19(9-12-20)26-13-14-27-19/h4-7,16H,2-3,8-15H2,1H3
InChIKeyAOSVFWFDJSPUNI-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.63
Rot. Bonds4

About 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 3221368) has the molecular formula C19H28N2O6S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID3221368
Molecular FormulaC19H28N2O6S2
Molecular Weight444.58 g/mol
Exact Mass444.14
IUPAC Name8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1
InChIInChI=1S/C19H28N2O6S2/c1-16-3-2-10-21(15-16)29(24,25)18-6-4-17(5-7-18)28(22,23)20-11-8-19(9-12-20)26-13-14-27-19/h4-7,16H,2-3,8-15H2,1H3
InChIKeyAOSVFWFDJSPUNI-UHFFFAOYSA-N
XLogP1.63
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

8-Tosyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242101
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
N-Butyl-4-(1,4-dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-benzenesulfonamide
CID 3221375
8-(4-Propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3313428
8-(4-Butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5167940
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
N-[1,4]Dioxan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzenesulfonamide
CID 647454
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
CID 1433303
8-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 1433312
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 4528444
8-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 1433287
4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
CID 71364073

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 3221368) is 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1.
What is the InChIKey of 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AOSVFWFDJSPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S2/c1-16-3-2-10-21(15-16)29(24,25)18-6-4-17(5-7-18)28(22,23)20-11-8-19(9-12-20)26-13-14-27-19/h4-7,16H,2-3,8-15H2,1H3.
What are the key properties of 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 444.58 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 3221368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).