1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone

C18H22N2O5S — CID 159443108

IUPAC1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone
SMILESCC(=O)[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CC3(CC3)C2)c1
InChIInChI=1S/C18H22N2O5S/c1-13(21)16-10-25-8-7-20(16)17(22)14-3-2-4-15(9-14)26(23,24)19-11-18(12-19)5-6-18/h2-4,9,16H,5-8,10-12H2,1H3/t16-/m1/s1
InChIKeyMTOCVYZLSUEBLD-MRXNPFEDSA-N
MW378.45 g/mol
LogP0.90
Rot. Bonds4

About 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone

1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone (PubChem CID 159443108) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone
PubChem CID159443108
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone
SMILESCC(=O)[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CC3(CC3)C2)c1
InChIInChI=1S/C18H22N2O5S/c1-13(21)16-10-25-8-7-20(16)17(22)14-3-2-4-15(9-14)26(23,24)19-11-18(12-19)5-6-18/h2-4,9,16H,5-8,10-12H2,1H3/t16-/m1/s1
InChIKeyMTOCVYZLSUEBLD-MRXNPFEDSA-N
XLogP0.90
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone with MolForge

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Related Compounds

(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide
CID 159443109
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216140
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 119472047
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 60534827
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 120814606
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone (CID 159443108) is 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone is CC(=O)[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CC3(CC3)C2)c1.
What is the InChIKey of 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone?
The InChIKey is MTOCVYZLSUEBLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13(21)16-10-25-8-7-20(16)17(22)14-3-2-4-15(9-14)26(23,24)19-11-18(12-19)5-6-18/h2-4,9,16H,5-8,10-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone?
1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone has a molecular weight of 378.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone is sourced from PubChem (CID 159443108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).