N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide

C16H22N4O3S — CID 166622316

IUPACN,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
SMILESCc1cccc(-c2nccn2[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O3S/c1-12-5-4-6-14(18-12)16-17-7-8-20(16)15-10-23-9-13(15)11-24(21,22)19(2)3/h4-8,13,15H,9-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyNRDZFPMTGHICEF-DZGCQCFKSA-N
MW350.44 g/mol
LogP1.33
Rot. Bonds5

About N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide (PubChem CID 166622316) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
PubChem CID166622316
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
SMILESCc1cccc(-c2nccn2[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O3S/c1-12-5-4-6-14(18-12)16-17-7-8-20(16)15-10-23-9-13(15)11-24(21,22)19(2)3/h4-8,13,15H,9-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyNRDZFPMTGHICEF-DZGCQCFKSA-N
XLogP1.33
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[(3R,4S)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166619691
N,N-dimethyl-1-[(3S,4S)-4-(2-quinolin-2-ylimidazol-1-yl)oxolan-3-yl]methanesulfonamide;formic acid
CID 166598033
N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166622045
N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166623939
1-[(3S,4S)-4-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 165419444
1-[(3S,4S)-4-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 165425656
1-[(3S,4S)-4-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 166599392
N,N-dimethyl-1-[(3R,4S)-4-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 171330235
N,N-dimethyl-1-[(3S,4S)-4-[2-(8-methylquinolin-5-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 171322527
acetic acid;N,N-dimethyl-1-[(3S,4S)-4-[2-(1,2-thiazol-4-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 171712833
1-[(3R,4S)-4-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 171325024
N,N-dimethyl-1-[(3R,4S)-4-[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 171707684

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide (CID 166622316) is N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide is Cc1cccc(-c2nccn2[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The InChIKey is NRDZFPMTGHICEF-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-5-4-6-14(18-12)16-17-7-8-20(16)15-10-23-9-13(15)11-24(21,22)19(2)3/h4-8,13,15H,9-11H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 166622316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).