4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine

C17H26N2O5S2 — CID 3226866

IUPAC4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O5S2/c1-14-4-3-5-15(2)19(14)26(22,23)17-8-6-16(7-9-17)25(20,21)18-10-12-24-13-11-18/h6-9,14-15H,3-5,10-13H2,1-2H3
InChIKeyXLDCZABMTIPTOV-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.66
Rot. Bonds4

About 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine

4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 3226866) has the molecular formula C17H26N2O5S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID3226866
Molecular FormulaC17H26N2O5S2
Molecular Weight402.54 g/mol
Exact Mass402.13
IUPAC Name4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O5S2/c1-14-4-3-5-15(2)19(14)26(22,23)17-8-6-16(7-9-17)25(20,21)18-10-12-24-13-11-18/h6-9,14-15H,3-5,10-13H2,1-2H3
InChIKeyXLDCZABMTIPTOV-UHFFFAOYSA-N
XLogP1.66
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-[3-(2-Methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214675
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
1-Ethanesulfonyl-4-[4-(2-ethyl-piperidine-1-sulfonyl)-benzenesulfonyl]-piperazine
CID 651007
1'-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-[1,4']bipiperidinyl
CID 654106
4-[3-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456414
1-Methyl-4-[4-(2-methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-piperazine
CID 3192480
3-{4-[4-(Morpholine-4-sulfonyl)benzenesulfonyl]piperazin-1-YL}propanenitrile
CID 4122063
4-([1,4']Bipiperidinyl-1'-sulfonyl)-N,N-diethyl-benzenesulfonamide
CID 24793403
4-(4-Methoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 43216606

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 3226866) is 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is CC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is XLDCZABMTIPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S2/c1-14-4-3-5-15(2)19(14)26(22,23)17-8-6-16(7-9-17)25(20,21)18-10-12-24-13-11-18/h6-9,14-15H,3-5,10-13H2,1-2H3.
What are the key properties of 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 402.54 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 3226866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).