[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium

C20H33N4O4S+ — CID 8695187

IUPAC[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C[NH+](C)CC(=O)N(C)C)cc2)C1
InChIInChI=1S/C20H32N4O4S/c1-15-10-16(2)12-24(11-15)29(27,28)18-8-6-17(7-9-18)21-19(25)13-23(5)14-20(26)22(3)4/h6-9,15-16H,10-14H2,1-5H3,(H,21,25)/p+1/t15-,16-/m1/s1
InChIKeyYPLZFPVOTTUNEW-HZPDHXFCSA-O
MW425.58 g/mol
LogP-0.11
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium

[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium (PubChem CID 8695187) has the molecular formula C20H33N4O4S+ and a molecular weight of 425.58 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium
PubChem CID8695187
Molecular FormulaC20H33N4O4S+
Molecular Weight425.58 g/mol
Exact Mass425.22
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C[NH+](C)CC(=O)N(C)C)cc2)C1
InChIInChI=1S/C20H32N4O4S/c1-15-10-16(2)12-24(11-15)29(27,28)18-8-6-17(7-9-18)21-19(25)13-23(5)14-20(26)22(3)4/h6-9,15-16H,10-14H2,1-5H3,(H,21,25)/p+1/t15-,16-/m1/s1
InChIKeyYPLZFPVOTTUNEW-HZPDHXFCSA-O
XLogP-0.11
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 26667345
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 8712068
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505
N-cyclopropyl-2-[4-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30627581
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 27890730
(3S)-3-(carbamoylamino)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 51929775
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium (CID 8695187) is [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C[NH+](C)CC(=O)N(C)C)cc2)C1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium?
The InChIKey is YPLZFPVOTTUNEW-HZPDHXFCSA-O. The full InChI is InChI=1S/C20H32N4O4S/c1-15-10-16(2)12-24(11-15)29(27,28)18-8-6-17(7-9-18)21-19(25)13-23(5)14-20(26)22(3)4/h6-9,15-16H,10-14H2,1-5H3,(H,21,25)/p+1/t15-,16-/m1/s1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium?
[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium has a molecular weight of 425.58 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8695187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).