N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide

C12H18N2O2S — CID 125467895

IUPACN-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@H]2CCCCN2)c1
InChIInChI=1S/C12H18N2O2S/c1-13-17(15,16)11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12-14H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyAUUJQFZTUSXVGA-GFCCVEGCSA-N
MW254.35 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide

N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide (PubChem CID 125467895) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide
PubChem CID125467895
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@H]2CCCCN2)c1
InChIInChI=1S/C12H18N2O2S/c1-13-17(15,16)11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12-14H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyAUUJQFZTUSXVGA-GFCCVEGCSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfonylphenyl)azepane
CID 62544544
(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
CID 162344454
N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
CID 106633277
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
[3-[(2R)-piperidin-2-yl]phenyl] acetate
CID 131481230
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide (CID 125467895) is N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide is CNS(=O)(=O)c1cccc([C@H]2CCCCN2)c1.
What is the InChIKey of N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide?
The InChIKey is AUUJQFZTUSXVGA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-17(15,16)11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12-14H,2-3,7-8H2,1H3/t12-/m1/s1.
What are the key properties of N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide?
N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 125467895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).