[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C17H24N2O6S2 — CID 16828632

IUPAC[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N2O6S2/c1-26(21,22)15-3-2-4-16(13-15)27(23,24)19-7-5-14(6-8-19)17(20)18-9-11-25-12-10-18/h2-4,13-14H,5-12H2,1H3
InChIKeyDVLWZYPZUXTUPT-UHFFFAOYSA-N
MW416.52 g/mol
LogP0.35
Rot. Bonds4

About [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 16828632) has the molecular formula C17H24N2O6S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID16828632
Molecular FormulaC17H24N2O6S2
Molecular Weight416.52 g/mol
Exact Mass416.11
IUPAC Name[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N2O6S2/c1-26(21,22)15-3-2-4-16(13-15)27(23,24)19-7-5-14(6-8-19)17(20)18-9-11-25-12-10-18/h2-4,13-14H,5-12H2,1H3
InChIKeyDVLWZYPZUXTUPT-UHFFFAOYSA-N
XLogP0.35
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 3230698
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
1-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563909
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
6-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53068465
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 26500531
N-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935229
4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 37355621
(2R)-2-ethyl-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95068766

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 16828632) is [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DVLWZYPZUXTUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S2/c1-26(21,22)15-3-2-4-16(13-15)27(23,24)19-7-5-14(6-8-19)17(20)18-9-11-25-12-10-18/h2-4,13-14H,5-12H2,1H3.
What are the key properties of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 416.52 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 16828632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).