[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C16H29N3O5S — CID 55511986

IUPAC[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)CC(C)O1
InChIInChI=1S/C16H29N3O5S/c1-13-10-19(11-14(2)24-13)25(21,22)18-5-3-4-15(12-18)16(20)17-6-8-23-9-7-17/h13-15H,3-12H2,1-2H3
InChIKeyGVKOKWQENCJEOG-UHFFFAOYSA-N
MW375.49 g/mol
LogP-0.09
Rot. Bonds3

About [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55511986) has the molecular formula C16H29N3O5S and a molecular weight of 375.49 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55511986
Molecular FormulaC16H29N3O5S
Molecular Weight375.49 g/mol
Exact Mass375.18
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)CC(C)O1
InChIInChI=1S/C16H29N3O5S/c1-13-10-19(11-14(2)24-13)25(21,22)18-5-3-4-15(12-18)16(20)17-6-8-23-9-7-17/h13-15H,3-12H2,1-2H3
InChIKeyGVKOKWQENCJEOG-UHFFFAOYSA-N
XLogP-0.09
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55685244
[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 142545227
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 51322299
1-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55601159
[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 24604852
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 55511986) is [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is CC1CN(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GVKOKWQENCJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5S/c1-13-10-19(11-14(2)24-13)25(21,22)18-5-3-4-15(12-18)16(20)17-6-8-23-9-7-17/h13-15H,3-12H2,1-2H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 375.49 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55511986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).