2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone

C18H25N3O4S — CID 82037964

IUPAC2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C18H25N3O4S/c22-17(20-8-6-18(14-20)5-7-19-13-18)15-1-3-16(4-2-15)26(23,24)21-9-11-25-12-10-21/h1-4,19H,5-14H2
InChIKeyLQVOOXFLBVDTAX-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.53
Rot. Bonds3

About 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone

2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 82037964) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID82037964
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C18H25N3O4S/c22-17(20-8-6-18(14-20)5-7-19-13-18)15-1-3-16(4-2-15)26(23,24)21-9-11-25-12-10-21/h1-4,19H,5-14H2
InChIKeyLQVOOXFLBVDTAX-UHFFFAOYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 126851675
[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
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 120777983
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
(4-morpholin-4-ylsulfonylphenyl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 2320852
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 82037964) is 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC2(CCNC2)C1.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is LQVOOXFLBVDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-17(20-8-6-18(14-20)5-7-19-13-18)15-1-3-16(4-2-15)26(23,24)21-9-11-25-12-10-21/h1-4,19H,5-14H2.
What are the key properties of 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone?
2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 379.48 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 82037964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).