(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C18H22F2N2O4S — CID 126851675

IUPAC(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C18H22F2N2O4S/c19-18(20)13-17(18)5-7-21(8-6-17)16(23)14-1-3-15(4-2-14)27(24,25)22-9-11-26-12-10-22/h1-4H,5-13H2
InChIKeyMMCFUSZRIOEOGU-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.97
Rot. Bonds3

About (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 126851675) has the molecular formula C18H22F2N2O4S and a molecular weight of 400.45 g/mol. Its IUPAC name is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID126851675
Molecular FormulaC18H22F2N2O4S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C18H22F2N2O4S/c19-18(20)13-17(18)5-7-21(8-6-17)16(23)14-1-3-15(4-2-14)27(24,25)22-9-11-26-12-10-22/h1-4H,5-13H2
InChIKeyMMCFUSZRIOEOGU-UHFFFAOYSA-N
XLogP1.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 82037964
methyl 4-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)sulfonyl]benzoate
CID 126855619
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
[4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 5141037
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 126851675) is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is MMCFUSZRIOEOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O4S/c19-18(20)13-17(18)5-7-21(8-6-17)16(23)14-1-3-15(4-2-14)27(24,25)22-9-11-26-12-10-22/h1-4H,5-13H2.
What are the key properties of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 400.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 126851675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).