morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone

C13H24N2O4S — CID 3245152

IUPACmorpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-10-20(17,18)15-5-3-4-12(11-15)13(16)14-6-8-19-9-7-14/h12H,2-11H2,1H3
InChIKeyZNQJZLMHBURYIW-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.30
Rot. Bonds4

About morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone

morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone (PubChem CID 3245152) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone
PubChem CID3245152
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemorpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-10-20(17,18)15-5-3-4-12(11-15)13(16)14-6-8-19-9-7-14/h12H,2-11H2,1H3
InChIKeyZNQJZLMHBURYIW-UHFFFAOYSA-N
XLogP0.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[1-(Propylsulfonyl)piperidin-4-yl]carbonyl}morpholine
CID 3236065
4-{[1-(Methylsulfonyl)piperidin-3-yl]carbonyl}morpholine
CID 3238726
3-(Piperidin-1-ylcarbonyl)-1-(propylsulfonyl)piperidine
CID 4343526
4-{[1-(Butylsulfonyl)-3-piperidinyl]carbonyl}morpholine
CID 6471716
(1-Methylsulfonyl-4-piperidinyl)-(4-morpholinyl)methanone
CID 647201
N-(2-morpholin-4-ylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236583
Ethyl 4-(1-propylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxylate
CID 3245768
[1-(Ethylsulfonyl)piperidin-4-yl](morpholin-4-yl)methanone
CID 3237970
1-(methylsulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 3238772
N-(2-Methoxyethyl)-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 3594497
N-(3-morpholinopropyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4103105
1-(Ethanesulfonyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 4285717

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone (CID 3245152) is morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone?
The InChIKey is ZNQJZLMHBURYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-10-20(17,18)15-5-3-4-12(11-15)13(16)14-6-8-19-9-7-14/h12H,2-11H2,1H3.
What are the key properties of morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone?
morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone has a molecular weight of 304.41 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-propylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 3245152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).