(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane

C15H20N2O4S — CID 124520551

IUPAC(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(C1CC1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
InChIInChI=1S/C15H20N2O4S/c18-22(19,14-3-4-14)17-7-5-15(11-17)8-13(10-20-15)21-12-2-1-6-16-9-12/h1-2,6,9,13-14H,3-5,7-8,10-11H2/t13-,15+/m0/s1
InChIKeyWQAPYUKBLVISNC-DZGCQCFKSA-N
MW324.40 g/mol
LogP1.19
Rot. Bonds4

About (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane

(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 124520551) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID124520551
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(C1CC1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
InChIInChI=1S/C15H20N2O4S/c18-22(19,14-3-4-14)17-7-5-15(11-17)8-13(10-20-15)21-12-2-1-6-16-9-12/h1-2,6,9,13-14H,3-5,7-8,10-11H2/t13-,15+/m0/s1
InChIKeyWQAPYUKBLVISNC-DZGCQCFKSA-N
XLogP1.19
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 118745503
(3R,5S)-7-cyclopropylsulfonyl-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97420002
2-methylsulfonyl-1-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418966
(3R,5R)-7-pyrazin-2-yl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394379
(3R,5R)-9-cyclopropylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489058
(3R,5R)-N-cyclopropyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485695
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97395020
8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid
CID 155852804
[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394437
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 124520551) is (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane is O=S(=O)(C1CC1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1.
What is the InChIKey of (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is WQAPYUKBLVISNC-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-22(19,14-3-4-14)17-7-5-15(11-17)8-13(10-20-15)21-12-2-1-6-16-9-12/h1-2,6,9,13-14H,3-5,7-8,10-11H2/t13-,15+/m0/s1.
What are the key properties of (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 324.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 124520551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).