N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C26H43N3O4S — CID 25395281

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1C
InChIInChI=1S/C26H43N3O4S/c1-17-13-18(2)22(6)24(21(17)5)34(31,32)29-11-9-23(10-12-29)25(30)27-16-26(7,8)28-14-19(3)33-20(4)15-28/h13,19-20,23H,9-12,14-16H2,1-8H3,(H,27,30)/t19-,20+
InChIKeyQLRMLSVGMYWMPF-BGYRXZFFSA-N
MW493.71 g/mol
LogP3.32
Rot. Bonds6

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 25395281) has the molecular formula C26H43N3O4S and a molecular weight of 493.71 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID25395281
Molecular FormulaC26H43N3O4S
Molecular Weight493.71 g/mol
Exact Mass493.30
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1C
InChIInChI=1S/C26H43N3O4S/c1-17-13-18(2)22(6)24(21(17)5)34(31,32)29-11-9-23(10-12-29)25(30)27-16-26(7,8)28-14-19(3)33-20(4)15-28/h13,19-20,23H,9-12,14-16H2,1-8H3,(H,27,30)/t19-,20+
InChIKeyQLRMLSVGMYWMPF-BGYRXZFFSA-N
XLogP3.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 71830284
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
N-(2-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55612058
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 2688191
N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26443164
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 36917432
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33263319

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 25395281) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1C.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QLRMLSVGMYWMPF-BGYRXZFFSA-N. The full InChI is InChI=1S/C26H43N3O4S/c1-17-13-18(2)22(6)24(21(17)5)34(31,32)29-11-9-23(10-12-29)25(30)27-16-26(7,8)28-14-19(3)33-20(4)15-28/h13,19-20,23H,9-12,14-16H2,1-8H3,(H,27,30)/t19-,20+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 493.71 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25395281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).