(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide

C13H21N3O2S — CID 94812189

IUPAC(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H21N3O2S/c1-12-5-3-4-10-16(12)19(17,18)15(2)11-13-6-8-14-9-7-13/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1
InChIKeyAAVCWLQXDBOAHB-GFCCVEGCSA-N
MW283.40 g/mol
LogP1.63
Rot. Bonds4

About (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide

(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 94812189) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID94812189
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H21N3O2S/c1-12-5-3-4-10-16(12)19(17,18)15(2)11-13-6-8-14-9-7-13/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1
InChIKeyAAVCWLQXDBOAHB-GFCCVEGCSA-N
XLogP1.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
CID 35311721
N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
CID 47185640
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857794
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-ethyl-N,2-dimethylpyrrolidine-1-sulfonamide
CID 130840821
N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 53499305
N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 79121076
N,2-dimethyl-N-piperidin-4-ylpiperidine-1-sulfonamide
CID 43606996
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 110724815

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide (CID 94812189) is (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide is C[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccncc1.
What is the InChIKey of (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is AAVCWLQXDBOAHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12-5-3-4-10-16(12)19(17,18)15(2)11-13-6-8-14-9-7-13/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide?
(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 94812189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).