N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide

C20H29N2OS+ — CID 9446384

IUPACN-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCC[C@H]1c1cccs1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2OS/c23-19(13-22-5-1-3-17(22)18-4-2-6-24-18)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2,4,6,14-17H,1,3,5,7-13H2,(H,21,23)/p+1/t14?,15?,16?,17-,20?/m0/s1
InChIKeyVCNVZARTXMHKMO-FAKMSMKASA-O
MW345.53 g/mol
LogP2.55
Rot. Bonds4

About N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide

N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide (PubChem CID 9446384) has the molecular formula C20H29N2OS+ and a molecular weight of 345.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
PubChem CID9446384
Molecular FormulaC20H29N2OS+
Molecular Weight345.53 g/mol
Exact Mass345.20
IUPAC NameN-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCC[C@H]1c1cccs1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2OS/c23-19(13-22-5-1-3-17(22)18-4-2-6-24-18)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2,4,6,14-17H,1,3,5,7-13H2,(H,21,23)/p+1/t14?,15?,16?,17-,20?/m0/s1
InChIKeyVCNVZARTXMHKMO-FAKMSMKASA-O
XLogP2.55
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-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

N-(2-phenylethyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9317430
4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzamide
CID 9446564
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11929318
N-(2-methylsulfanylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446614
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11944212
N-(3-acetylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446358
N-(3-chloro-4-methylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446432
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11944178
N-(3-fluoro-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446766
N-(4-bromo-3-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446446
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11928199
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9299861

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide (CID 9446384) is N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCC[C@H]1c1cccs1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
The InChIKey is VCNVZARTXMHKMO-FAKMSMKASA-O. The full InChI is InChI=1S/C20H28N2OS/c23-19(13-22-5-1-3-17(22)18-4-2-6-24-18)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2,4,6,14-17H,1,3,5,7-13H2,(H,21,23)/p+1/t14?,15?,16?,17-,20?/m0/s1.
What are the key properties of N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide has a molecular weight of 345.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9446384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).