N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide

C22H33N3O6S2 — CID 89238605

IUPACN-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(C)N(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)(C)C1
InChIInChI=1S/C22H33N3O6S2/c1-6-20(26)23-17-15-21(2,3)25(22(4,5)16-17)33(29,30)19-9-7-18(8-10-19)32(27,28)24-11-13-31-14-12-24/h6-10,17H,1,11-16H2,2-5H3,(H,23,26)
InChIKeyMGFMPYIDQJMWQC-UHFFFAOYSA-N
MW499.66 g/mol
LogP1.72
Rot. Bonds6

About N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide

N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 89238605) has the molecular formula C22H33N3O6S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID89238605
Molecular FormulaC22H33N3O6S2
Molecular Weight499.66 g/mol
Exact Mass499.18
IUPAC NameN-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(C)N(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)(C)C1
InChIInChI=1S/C22H33N3O6S2/c1-6-20(26)23-17-15-21(2,3)25(22(4,5)16-17)33(29,30)19-9-7-18(8-10-19)32(27,28)24-11-13-31-14-12-24/h6-10,17H,1,11-16H2,2-5H3,(H,23,26)
InChIKeyMGFMPYIDQJMWQC-UHFFFAOYSA-N
XLogP1.72
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxan-4-yl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71454790
N-[2,2,6,6-tetramethyl-1-[[6-(2-phenylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]prop-2-enamide
CID 89238972
N-[2,2,6,6-tetramethyl-1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237216
N-methyl-N-[4-[3-(prop-2-enoylamino)azetidin-1-yl]sulfonylphenyl]oxane-4-carboxamide
CID 89235923
2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 2343813
N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67194643
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
N-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236153
N-methyl-N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]oxane-4-carboxamide
CID 89239013
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide (CID 89238605) is N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CC(C)(C)N(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)(C)C1.
What is the InChIKey of N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is MGFMPYIDQJMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6S2/c1-6-20(26)23-17-15-21(2,3)25(22(4,5)16-17)33(29,30)19-9-7-18(8-10-19)32(27,28)24-11-13-31-14-12-24/h6-10,17H,1,11-16H2,2-5H3,(H,23,26).
What are the key properties of N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide?
N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 499.66 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,6,6-tetramethyl-1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 89238605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).