(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C16H26N2O4S — CID 52529765

IUPAC(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC
InChIInChI=1S/C16H26N2O4S/c1-12-7-13(2)11-18(10-12)23(19,20)17-9-14-5-6-15(21-3)16(8-14)22-4/h5-6,8,12-13,17H,7,9-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyZGKQPCWCVLWFOA-CHWSQXEVSA-N
MW342.46 g/mol
LogP2.02
Rot. Bonds6

About (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 52529765) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID52529765
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC
InChIInChI=1S/C16H26N2O4S/c1-12-7-13(2)11-18(10-12)23(19,20)17-9-14-5-6-15(21-3)16(8-14)22-4/h5-6,8,12-13,17H,7,9-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyZGKQPCWCVLWFOA-CHWSQXEVSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 3434532
(3,4-dimethoxyphenyl)methyl 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 25388701
1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 102704312
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 52529765) is (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is COc1ccc(CNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC.
What is the InChIKey of (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is ZGKQPCWCVLWFOA-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-12-7-13(2)11-18(10-12)23(19,20)17-9-14-5-6-15(21-3)16(8-14)22-4/h5-6,8,12-13,17H,7,9-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 52529765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).