(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane

C22H30F2N2O5S — CID 169143938

IUPAC(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCC2(CC1)C[C@@H](N1CC[C@@]3(CCOC3)C1)CO2
InChIInChI=1S/C22H30F2N2O5S/c23-20(24)31-18-1-3-19(4-2-18)32(27,28)26-10-6-22(7-11-26)13-17(14-30-22)25-9-5-21(15-25)8-12-29-16-21/h1-4,17,20H,5-16H2/t17-,21-/m1/s1
InChIKeySFPGOBFLRMLJPE-DYESRHJHSA-N
MW472.55 g/mol
LogP2.71
Rot. Bonds5

About (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane

(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 169143938) has the molecular formula C22H30F2N2O5S and a molecular weight of 472.55 g/mol. Its IUPAC name is (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID169143938
Molecular FormulaC22H30F2N2O5S
Molecular Weight472.55 g/mol
Exact Mass472.18
IUPAC Name(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCC2(CC1)C[C@@H](N1CC[C@@]3(CCOC3)C1)CO2
InChIInChI=1S/C22H30F2N2O5S/c23-20(24)31-18-1-3-19(4-2-18)32(27,28)26-10-6-22(7-11-26)13-17(14-30-22)25-9-5-21(15-25)8-12-29-16-21/h1-4,17,20H,5-16H2/t17-,21-/m1/s1
InChIKeySFPGOBFLRMLJPE-DYESRHJHSA-N
XLogP2.71
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(3R)-3-(2-methoxyethyl)-3-methylpyrrolidin-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 170119805
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144154
7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane
CID 169143951
4-[4-(difluoromethoxy)phenyl]sulfonyl-9-(2,2-dimethyloxan-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 169161001
9-[4-(difluoromethoxy)phenyl]sulfonyl-2-(oxan-4-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane
CID 169161089
(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol
CID 169144269
8-(2-chloro-4-methylphenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143945
8-[(4,6-dimethyl-3-pyridinyl)sulfanyl]-3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane
CID 170119738
1-[8-[4-(difluoromethoxy)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-methylpyrrolidin-3-ol
CID 168996174
4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170120954
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
tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride
CID 175929643

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane (CID 169143938) is (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(OC(F)F)cc1)N1CCC2(CC1)C[C@@H](N1CC[C@@]3(CCOC3)C1)CO2.
What is the InChIKey of (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SFPGOBFLRMLJPE-DYESRHJHSA-N. The full InChI is InChI=1S/C22H30F2N2O5S/c23-20(24)31-18-1-3-19(4-2-18)32(27,28)26-10-6-22(7-11-26)13-17(14-30-22)25-9-5-21(15-25)8-12-29-16-21/h1-4,17,20H,5-16H2/t17-,21-/m1/s1.
What are the key properties of (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 472.55 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 169143938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).