8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

C18H28N2O4S — CID 131692117

IUPAC8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cccc(COCCC2CCOC23CN(S(=O)(=O)C(C)C)C3)n1
InChIInChI=1S/C18H28N2O4S/c1-14(2)25(21,22)20-12-18(13-20)16(8-10-24-18)7-9-23-11-17-6-4-5-15(3)19-17/h4-6,14,16H,7-13H2,1-3H3
InChIKeyFYDNGZIZMHEKAP-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.13
Rot. Bonds7

About 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131692117) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID131692117
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cccc(COCCC2CCOC23CN(S(=O)(=O)C(C)C)C3)n1
InChIInChI=1S/C18H28N2O4S/c1-14(2)25(21,22)20-12-18(13-20)16(8-10-24-18)7-9-23-11-17-6-4-5-15(3)19-17/h4-6,14,16H,7-13H2,1-3H3
InChIKeyFYDNGZIZMHEKAP-UHFFFAOYSA-N
XLogP2.13
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-1,3-oxazol-5-yl)-[8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131657002
(8R)-2-methylsulfonyl-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124782572
8-propan-2-ylsulfonyl-4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155860424
[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131654987
(6-methyl-2-pyridinyl)-[(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124811684
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 131692014
[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 124816688
(8R)-2-ethylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124895164
8-(3,5-dimethylphenyl)sulfonyl-4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155861400
(8S)-N,N-dimethyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805483
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124810972
(3-methylfuran-2-yl)-[(8R)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124809590

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (CID 131692117) is 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is Cc1cccc(COCCC2CCOC23CN(S(=O)(=O)C(C)C)C3)n1.
What is the InChIKey of 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is FYDNGZIZMHEKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)25(21,22)20-12-18(13-20)16(8-10-24-18)7-9-23-11-17-6-4-5-15(3)19-17/h4-6,14,16H,7-13H2,1-3H3.
What are the key properties of 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 368.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131692117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).