1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide

C13H25N3O4S — CID 94018098

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C13H25N3O4S/c1-10-8-16(9-11(2)20-10)21(18,19)15-6-4-12(5-7-15)13(17)14-3/h10-12H,4-9H2,1-3H3,(H,14,17)/t10-,11-/m0/s1
InChIKeyGWKQAZKIBJJXIZ-QWRGUYRKSA-N
MW319.43 g/mol
LogP-0.20
Rot. Bonds3

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 94018098) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID94018098
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C13H25N3O4S/c1-10-8-16(9-11(2)20-10)21(18,19)15-6-4-12(5-7-15)13(17)14-3/h10-12H,4-9H2,1-3H3,(H,14,17)/t10-,11-/m0/s1
InChIKeyGWKQAZKIBJJXIZ-QWRGUYRKSA-N
XLogP-0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018099
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650
1-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55601159
(3R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidin-3-amine
CID 124572808
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81103434
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
(2S)-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]propanoic acid
CID 125149387
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119730759
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105624
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide (CID 94018098) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is GWKQAZKIBJJXIZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-10-8-16(9-11(2)20-10)21(18,19)15-6-4-12(5-7-15)13(17)14-3/h10-12H,4-9H2,1-3H3,(H,14,17)/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 94018098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).