(1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone

C12H22N2O4S — CID 3237970

IUPAC(1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H22N2O4S/c1-2-19(16,17)14-5-3-11(4-6-14)12(15)13-7-9-18-10-8-13/h11H,2-10H2,1H3
InChIKeyDHXRBNCWTOZZQJ-UHFFFAOYSA-N
MW290.38 g/mol
LogP-0.09
Rot. Bonds3

About (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone

(1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone (PubChem CID 3237970) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
PubChem CID3237970
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H22N2O4S/c1-2-19(16,17)14-5-3-11(4-6-14)12(15)13-7-9-18-10-8-13/h11H,2-10H2,1H3
InChIKeyDHXRBNCWTOZZQJ-UHFFFAOYSA-N
XLogP-0.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.09
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
4-{[1-(Butylsulfonyl)-3-piperidinyl]carbonyl}morpholine
CID 6471716
(1-Methylsulfonyl-4-piperidinyl)-(4-morpholinyl)methanone
CID 647201
4-{[1-(Propylsulfonyl)piperidin-3-yl]carbonyl}morpholine
CID 3245152
1-(ethylsulfonyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 4614751
N-(2-Methoxyethyl)-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 6472251
Ethyl 4-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3235940
Ethyl 4-{[1-(ethylsulfonyl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3244194
Ethyl 1-{[1-(ethylsulfonyl)piperidin-4-yl]carbonyl}piperidine-4-carboxylate
CID 3238413
N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)propionamide
CID 44420052
N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide
CID 4172086

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone (CID 3237970) is (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone is CCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is DHXRBNCWTOZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-2-19(16,17)14-5-3-11(4-6-14)12(15)13-7-9-18-10-8-13/h11H,2-10H2,1H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone?
(1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 290.38 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3237970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).