[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone

C20H30N2O4S — CID 48690592

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)OC(C)(C)C3)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15-7-9-18(10-8-15)27(24,25)22-11-5-6-17(13-22)19(23)21-12-16(2)26-20(3,4)14-21/h7-10,16-17H,5-6,11-14H2,1-4H3
InChIKeyWYWPWMJQYSXGOW-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.42
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone

[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48690592) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48690592
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)OC(C)(C)C3)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15-7-9-18(10-8-15)27(24,25)22-11-5-6-17(13-22)19(23)21-12-16(2)26-20(3,4)14-21/h7-10,16-17H,5-6,11-14H2,1-4H3
InChIKeyWYWPWMJQYSXGOW-UHFFFAOYSA-N
XLogP2.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
4-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]morpholine-2-carboxylic acid
CID 119358030
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone;hydrochloride
CID 119485135
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 30156942
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 120572048
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48690592) is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)OC(C)(C)C3)C2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is WYWPWMJQYSXGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-7-9-18(10-8-15)27(24,25)22-11-5-6-17(13-22)19(23)21-12-16(2)26-20(3,4)14-21/h7-10,16-17H,5-6,11-14H2,1-4H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 394.54 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48690592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).