4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine

C16H24N2O5S2 — CID 3214675

IUPAC4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCC1CCCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O5S2/c1-14-5-2-3-8-18(14)25(21,22)16-7-4-6-15(13-16)24(19,20)17-9-11-23-12-10-17/h4,6-7,13-14H,2-3,5,8-12H2,1H3
InChIKeyXRRCVHQVKGSCGG-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.27
Rot. Bonds4

About 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine

4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 3214675) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID3214675
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCC1CCCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O5S2/c1-14-5-2-3-8-18(14)25(21,22)16-7-4-6-15(13-16)24(19,20)17-9-11-23-12-10-17/h4,6-7,13-14H,2-3,5,8-12H2,1H3
InChIKeyXRRCVHQVKGSCGG-UHFFFAOYSA-N
XLogP1.27
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-Benzyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 651778
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-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
N-(2-Cyclohex-1-enyl-ethyl)-3-(morpholine-4-sulfonyl)-benzenesulfonamide
CID 651061
1'-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-[1,4']bipiperidinyl
CID 654106
4-[3-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456414
8-(Methylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384395
1-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-azepane
CID 1456413
4-[3-(4-Ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214673

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 3214675) is 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is CC1CCCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is XRRCVHQVKGSCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-14-5-2-3-8-18(14)25(21,22)16-7-4-6-15(13-16)24(19,20)17-9-11-23-12-10-17/h4,6-7,13-14H,2-3,5,8-12H2,1H3.
What are the key properties of 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 388.51 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 3214675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).