[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone

C16H28N2O5S — CID 125422110

IUPAC[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H28N2O5S/c19-16(15-3-8-22-9-4-15)17-5-1-2-14(12-17)13-24(20,21)18-6-10-23-11-7-18/h14-15H,1-13H2/t14-/m1/s1
InChIKeySHOOBXWRGDGANQ-CQSZACIVSA-N
MW360.48 g/mol
LogP0.31
Rot. Bonds4

About [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 125422110) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID125422110
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC Name[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H28N2O5S/c19-16(15-3-8-22-9-4-15)17-5-1-2-14(12-17)13-24(20,21)18-6-10-23-11-7-18/h14-15H,1-13H2/t14-/m1/s1
InChIKeySHOOBXWRGDGANQ-CQSZACIVSA-N
XLogP0.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 125422091
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 129009244
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride
CID 138006201
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 154910982
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 125422110) is [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is SHOOBXWRGDGANQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N2O5S/c19-16(15-3-8-22-9-4-15)17-5-1-2-14(12-17)13-24(20,21)18-6-10-23-11-7-18/h14-15H,1-13H2/t14-/m1/s1.
What are the key properties of [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 125422110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).