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

C18H30N2O3S — CID 108559995

IUPAC2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O3S/c1-24(22,23)20-4-2-16(3-5-20)19-17(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-12H2,1H3,(H,19,21)
InChIKeyLQQUGPDGQVJKLM-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.13
Rot. Bonds4

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

2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 108559995) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID108559995
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O3S/c1-24(22,23)20-4-2-16(3-5-20)19-17(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-12H2,1H3,(H,19,21)
InChIKeyLQQUGPDGQVJKLM-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969
2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 108559979
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108559996
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 79473115
2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551002
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
CID 108550975
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
CID 108564224
2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
CID 119477047
2-(1-adamantyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100426

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 108559995) is 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is LQQUGPDGQVJKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-24(22,23)20-4-2-16(3-5-20)19-17(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-12H2,1H3,(H,19,21).
What are the key properties of 2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 2.13, 4 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-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 108559995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).