4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide

C12H23N3O4S — CID 49460924

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCOC(C(N)=O)C2)C1
InChIInChI=1S/C12H23N3O4S/c1-9-5-10(2)7-15(6-9)20(17,18)14-3-4-19-11(8-14)12(13)16/h9-11H,3-8H2,1-2H3,(H2,13,16)
InChIKeyZOVDBDJAIVVNEY-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.60
Rot. Bonds3

About 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide

4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide (PubChem CID 49460924) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
PubChem CID49460924
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCOC(C(N)=O)C2)C1
InChIInChI=1S/C12H23N3O4S/c1-9-5-10(2)7-15(6-9)20(17,18)14-3-4-19-11(8-14)12(13)16/h9-11H,3-8H2,1-2H3,(H2,13,16)
InChIKeyZOVDBDJAIVVNEY-UHFFFAOYSA-N
XLogP-0.60
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-piperidin-1-ylsulfonylmorpholine-2-carboxamide
CID 94381384
(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 129327835
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
CID 79675027
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55558529
4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide
CID 136573570
4-(trideuteriomethyl)morpholine-2-carboxamide
CID 175784003
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
4-(dimethylsulfamoyl)morpholine-2-carbothioamide
CID 79674162
4-(methylamino)morpholine-2-carboxamide
CID 123261684
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984041
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide (CID 49460924) is 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCOC(C(N)=O)C2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide?
The InChIKey is ZOVDBDJAIVVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-9-5-10(2)7-15(6-9)20(17,18)14-3-4-19-11(8-14)12(13)16/h9-11H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 49460924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).