(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide

C13H21N3O4S2 — CID 97348271

IUPAC(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C13H21N3O4S2/c1-15(2)22(19,20)16-10-6-9-13(11-16)21(17,18)14-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyBFTSVNREAKFGCC-CYBMUJFWSA-N
MW347.46 g/mol
LogP0.70
Rot. Bonds5

About (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide

(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide (PubChem CID 97348271) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide.

Molecular Properties

Compound Name(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide
PubChem CID97348271
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC Name(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C13H21N3O4S2/c1-15(2)22(19,20)16-10-6-9-13(11-16)21(17,18)14-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyBFTSVNREAKFGCC-CYBMUJFWSA-N
XLogP0.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide
CID 166350730
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
CID 110707722

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide?
The IUPAC name of (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide (CID 97348271) is (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide.
What is the SMILES notation for (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide?
The canonical SMILES for (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide?
The InChIKey is BFTSVNREAKFGCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-15(2)22(19,20)16-10-6-9-13(11-16)21(17,18)14-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide?
(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide has a molecular weight of 347.46 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide is sourced from PubChem (CID 97348271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).