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

C16H24N2O5S2 — CID 1456414

IUPAC4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-14-5-7-17(8-6-14)24(19,20)15-3-2-4-16(13-15)25(21,22)18-9-11-23-12-10-18/h2-4,13-14H,5-12H2,1H3
InChIKeyHXPRALPBRKKPGI-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.13
Rot. Bonds4

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

4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 1456414) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID1456414
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-14-5-7-17(8-6-14)24(19,20)15-3-2-4-16(13-15)25(21,22)18-9-11-23-12-10-18/h2-4,13-14H,5-12H2,1H3
InChIKeyHXPRALPBRKKPGI-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
4-Methyl-1-[3-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1435631
4-[3-(2-Methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214675
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
N-[1,4]Dioxan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzenesulfonamide
CID 647454
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-[4-(Toluene-4-sulfonyl)-piperazine-1-sulfonyl]-morpholine
CID 1091476
1-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-azepane
CID 1456413

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 1456414) is 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is HXPRALPBRKKPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-14-5-7-17(8-6-14)24(19,20)15-3-2-4-16(13-15)25(21,22)18-9-11-23-12-10-18/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 388.51 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 1456414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).