(1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone

C14H26N2O4S — CID 6471716

IUPAC(1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-2-3-11-21(18,19)16-6-4-5-13(12-16)14(17)15-7-9-20-10-8-15/h13H,2-12H2,1H3
InChIKeyMDDKJZUCEKGYJO-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.69
Rot. Bonds5

About (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone

(1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone (PubChem CID 6471716) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone
PubChem CID6471716
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name(1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-2-3-11-21(18,19)16-6-4-5-13(12-16)14(17)15-7-9-20-10-8-15/h13H,2-12H2,1H3
InChIKeyMDDKJZUCEKGYJO-UHFFFAOYSA-N
XLogP0.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.69
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
(1-Methylsulfonyl-4-piperidinyl)-(4-morpholinyl)methanone
CID 647201
N-(2-morpholin-4-ylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236583
4-{[1-(Propylsulfonyl)piperidin-3-yl]carbonyl}morpholine
CID 3245152
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 (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone (CID 6471716) is (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone is CCCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is MDDKJZUCEKGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-2-3-11-21(18,19)16-6-4-5-13(12-16)14(17)15-7-9-20-10-8-15/h13H,2-12H2,1H3.
What are the key properties of (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone?
(1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 318.44 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 6471716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).