2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone

C18H26F3N5O4S — CID 166401862

IUPAC2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](C(F)(F)F)C3)nc2)CC1
InChIInChI=1S/C18H26F3N5O4S/c1-23(2)13-17(27)24-5-7-26(8-6-24)31(28,29)14-3-4-16(22-11-14)25-9-10-30-15(12-25)18(19,20)21/h3-4,11,15H,5-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyCVURXVXQXHEKHD-HNNXBMFYSA-N
MW465.50 g/mol
LogP0.24
Rot. Bonds5

About 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone (PubChem CID 166401862) has the molecular formula C18H26F3N5O4S and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
PubChem CID166401862
Molecular FormulaC18H26F3N5O4S
Molecular Weight465.50 g/mol
Exact Mass465.17
IUPAC Name2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](C(F)(F)F)C3)nc2)CC1
InChIInChI=1S/C18H26F3N5O4S/c1-23(2)13-17(27)24-5-7-26(8-6-24)31(28,29)14-3-4-16(22-11-14)25-9-10-30-15(12-25)18(19,20)21/h3-4,11,15H,5-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyCVURXVXQXHEKHD-HNNXBMFYSA-N
XLogP0.24
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543397
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 24668697
1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331662
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone (CID 166401862) is 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone is CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](C(F)(F)F)C3)nc2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
The InChIKey is CVURXVXQXHEKHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26F3N5O4S/c1-23(2)13-17(27)24-5-7-26(8-6-24)31(28,29)14-3-4-16(22-11-14)25-9-10-30-15(12-25)18(19,20)21/h3-4,11,15H,5-10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone has a molecular weight of 465.50 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166401862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).