(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide

C16H26N2O3S — CID 100836381

IUPAC(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(C)cc1CN(C)S(=O)(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C16H26N2O3S/c1-13-7-8-16(21-4)15(10-13)12-17(3)22(19,20)18-9-5-6-14(2)11-18/h7-8,10,14H,5-6,9,11-12H2,1-4H3/t14-/m1/s1
InChIKeyJWORVELBARVDTF-CQSZACIVSA-N
MW326.46 g/mol
LogP2.41
Rot. Bonds5

About (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide

(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 100836381) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID100836381
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(C)cc1CN(C)S(=O)(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C16H26N2O3S/c1-13-7-8-16(21-4)15(10-13)12-17(3)22(19,20)18-9-5-6-14(2)11-18/h7-8,10,14H,5-6,9,11-12H2,1-4H3/t14-/m1/s1
InChIKeyJWORVELBARVDTF-CQSZACIVSA-N
XLogP2.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid
CID 146092796
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552
(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
CID 51936643
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 61254577
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 113005859
(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 35431927
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144681
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide (CID 100836381) is (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide is COc1ccc(C)cc1CN(C)S(=O)(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is JWORVELBARVDTF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-7-8-16(21-4)15(10-13)12-17(3)22(19,20)18-9-5-6-14(2)11-18/h7-8,10,14H,5-6,9,11-12H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 100836381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).