8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one

C16H22N2O4S — CID 169144031

IUPAC8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one
SMILESCOc1ncc(C)cc1S(=O)(=O)N1CCC2(CCC(=O)C2)CC1
InChIInChI=1S/C16H22N2O4S/c1-12-9-14(15(22-2)17-11-12)23(20,21)18-7-5-16(6-8-18)4-3-13(19)10-16/h9,11H,3-8,10H2,1-2H3
InChIKeyPOQGMODZAMIUGU-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.92
Rot. Bonds3

About 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one

8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one (PubChem CID 169144031) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one
PubChem CID169144031
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one
SMILESCOc1ncc(C)cc1S(=O)(=O)N1CCC2(CCC(=O)C2)CC1
InChIInChI=1S/C16H22N2O4S/c1-12-9-14(15(22-2)17-11-12)23(20,21)18-7-5-16(6-8-18)4-3-13(19)10-16/h9,11H,3-8,10H2,1-2H3
InChIKeyPOQGMODZAMIUGU-UHFFFAOYSA-N
XLogP1.92
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine
CID 169144042
8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143978
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane
CID 166416203
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
2-[(3-methoxy-5-methyl-2-pyridinyl)sulfonyl]-3,4-dihydro-1H-2,6-naphthyridine
CID 68847658
1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
CID 110758344
1-(2,5-dimethylphenyl)sulfonyl-4,4-difluoropiperidine
CID 139027359
[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 3798061
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one (CID 169144031) is 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one is COc1ncc(C)cc1S(=O)(=O)N1CCC2(CCC(=O)C2)CC1.
What is the InChIKey of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one?
The InChIKey is POQGMODZAMIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-12-9-14(15(22-2)17-11-12)23(20,21)18-7-5-16(6-8-18)4-3-13(19)10-16/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one?
8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one has a molecular weight of 338.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 169144031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).