N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C17H28N2O3S — CID 17449841

IUPACN-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19-4-2-3-15(19)16(20)18-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyCMGWDSKBJRAFKK-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.74
Rot. Bonds4

About N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 17449841) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID17449841
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19-4-2-3-15(19)16(20)18-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyCMGWDSKBJRAFKK-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide 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

(2S)-N-(1-adamantylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 11934910
1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362844
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 8927607
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
N-[2-(1-adamantyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2942238
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55745993
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 103771592
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 17449841) is N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is CMGWDSKBJRAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-23(21,22)19-4-2-3-15(19)16(20)18-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17449841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).