(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone

C21H30N2O4S — CID 60534827

IUPAC(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1C1CCCCC1
InChIInChI=1S/C21H30N2O4S/c24-21(23-11-5-10-20(23)17-6-2-1-3-7-17)18-8-4-9-19(16-18)28(25,26)22-12-14-27-15-13-22/h4,8-9,16-17,20H,1-3,5-7,10-15H2
InChIKeyROXITZZOQZNQBQ-UHFFFAOYSA-N
MW406.55 g/mol
LogP2.89
Rot. Bonds4

About (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone

(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 60534827) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID60534827
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1C1CCCCC1
InChIInChI=1S/C21H30N2O4S/c24-21(23-11-5-10-20(23)17-6-2-1-3-7-17)18-8-4-9-19(16-18)28(25,26)22-12-14-27-15-13-22/h4,8-9,16-17,20H,1-3,5-7,10-15H2
InChIKeyROXITZZOQZNQBQ-UHFFFAOYSA-N
XLogP2.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8802986
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
3-[4-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidin-1-yl]sulfonylbenzoic acid
CID 24966173
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone (CID 60534827) is (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is ROXITZZOQZNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c24-21(23-11-5-10-20(23)17-6-2-1-3-7-17)18-8-4-9-19(16-18)28(25,26)22-12-14-27-15-13-22/h4,8-9,16-17,20H,1-3,5-7,10-15H2.
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 406.55 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 60534827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).