2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

C19H32N2O3S — CID 108559964

IUPAC2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H32N2O3S/c1-2-25(23,24)21-5-3-17(4-6-21)20-18(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22)
InChIKeyOBQYWQDECADDKY-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.52
Rot. Bonds5

About 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide (PubChem CID 108559964) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
PubChem CID108559964
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H32N2O3S/c1-2-25(23,24)21-5-3-17(4-6-21)20-18(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22)
InChIKeyOBQYWQDECADDKY-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(Adamantan-1-YL)ethyl]-1-(piperidine-1-sulfonyl)piperidine-3-carboxamide
CID 6624820
(4aR,8aR)-1-ethyl-N-(3-methylbutyl)-2,2-dioxo-4,5,6,7,8,8a-hexahydro-3H-benzo[c]thiazine-4a-carboxamide
CID 132334851
N-[2-(cyclopropylsulfamoyl)ethyl]adamantane-1-carboxamide
CID 40053404
N-(1-adamantylmethyl)-4-sulfamoylbutanamide
CID 40166565
N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 45883586
2-(1-adamantyl)-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]acetamide
CID 46991368
2-(1-adamantyl)-N-{2-[methyl(methylsulfonyl)amino]ethyl}acetamide
CID 50950272
2-(1-adamantyl)-N-[1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]acetamide
CID 131890014
N-2-adamantyl-4-[2-(ethylsulfonyl)ethyl]bicyclo[2.2.2]octane-1-carboxamide
CID 11502385
N-2-adamantyl-4-[3-(ethylsulfonyl)propyl]bicyclo[2.2.2]octane-1-carboxamide
CID 11604197
N-(2-adamantyl)-1-(2-piperidin-1-ylethylsulfonyl)piperidine-4-carboxamide
CID 24953958
3,5-dimethyl-N-[(4S)-2-oxoazepan-4-yl]adamantane-1-sulfonamide
CID 68767846

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide (CID 108559964) is 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide is CCS(=O)(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is OBQYWQDECADDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-2-25(23,24)21-5-3-17(4-6-21)20-18(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22).
What are the key properties of 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 368.54 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 108559964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).