7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

C14H20N2O4S — CID 155880374

IUPAC7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCOCCC1COC2(C1)CN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C14H20N2O4S/c1-19-6-4-12-7-14(20-9-12)10-16(11-14)21(17,18)13-3-2-5-15-8-13/h2-3,5,8,12H,4,6-7,9-11H2,1H3
InChIKeyUKKNWVXEGOZIEB-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.90
Rot. Bonds5

About 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 155880374) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID155880374
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCOCCC1COC2(C1)CN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C14H20N2O4S/c1-19-6-4-12-7-14(20-9-12)10-16(11-14)21(17,18)13-3-2-5-15-8-13/h2-3,5,8,12H,4,6-7,9-11H2,1H3
InChIKeyUKKNWVXEGOZIEB-UHFFFAOYSA-N
XLogP0.90
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 155880821
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490
(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124779208
1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 134073965
3-(2-methoxyethyl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 134078912
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
3-(2-methoxyethyl)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071247
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286966
2-[(7R)-2-(benzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 164639986
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (CID 155880374) is 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is COCCC1COC2(C1)CN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is UKKNWVXEGOZIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-19-6-4-12-7-14(20-9-12)10-16(11-14)21(17,18)13-3-2-5-15-8-13/h2-3,5,8,12H,4,6-7,9-11H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 312.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 155880374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).