(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

C15H26N4O3S — CID 129327835

IUPAC(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1
InChIInChI=1S/C15H26N4O3S/c1-12-6-13(2)9-19(8-12)23(20,21)18-4-5-22-15(11-18)14-7-16-17(3)10-14/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyWRWCGPQNPYYBTM-UMVBOHGHSA-N
MW342.47 g/mol
LogP1.02
Rot. Bonds3

About (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 129327835) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID129327835
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1
InChIInChI=1S/C15H26N4O3S/c1-12-6-13(2)9-19(8-12)23(20,21)18-4-5-22-15(11-18)14-7-16-17(3)10-14/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyWRWCGPQNPYYBTM-UMVBOHGHSA-N
XLogP1.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688
4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
CID 49460924
5-chloro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile
CID 128998920
4-(2-chloro-5-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75494719
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75496307
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 75494749
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 86769751
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482
(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400024

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (CID 129327835) is (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1.
What is the InChIKey of (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is WRWCGPQNPYYBTM-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-12-6-13(2)9-19(8-12)23(20,21)18-4-5-22-15(11-18)14-7-16-17(3)10-14/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3/t12-,13-,15-/m1/s1.
What are the key properties of (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 342.47 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 129327835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).