(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane

C16H22N2O4S — CID 124779502

IUPAC(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1
InChIInChI=1S/C16H22N2O4S/c19-23(20,15-3-4-15)18-11-16(12-18)13(6-9-22-16)5-8-21-14-2-1-7-17-10-14/h1-2,7,10,13,15H,3-6,8-9,11-12H2/t13-/m0/s1
InChIKeyMQKRIVQADQUBQI-ZDUSSCGKSA-N
MW338.43 g/mol
LogP1.43
Rot. Bonds6

About (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane

(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124779502) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124779502
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1
InChIInChI=1S/C16H22N2O4S/c19-23(20,15-3-4-15)18-11-16(12-18)13(6-9-22-16)5-8-21-14-2-1-7-17-10-14/h1-2,7,10,13,15H,3-6,8-9,11-12H2/t13-/m0/s1
InChIKeyMQKRIVQADQUBQI-ZDUSSCGKSA-N
XLogP1.43
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131649467
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785982
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124811935
2-cyclopropylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155851762
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
1H-indol-2-yl-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669327
2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131642303
2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 133141658
4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131677503
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433

Frequently Asked Questions

What is the IUPAC name of (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124779502) is (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane is O=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1.
What is the InChIKey of (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is MQKRIVQADQUBQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-23(20,15-3-4-15)18-11-16(12-18)13(6-9-22-16)5-8-21-14-2-1-7-17-10-14/h1-2,7,10,13,15H,3-6,8-9,11-12H2/t13-/m0/s1.
What are the key properties of (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 338.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124779502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).