N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide

C18H24N4O2S — CID 166097329

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O2S/c1-21(2)18-9-8-17(12-19-18)25(23,24)20-16-10-11-22(14-16)13-15-6-4-3-5-7-15/h3-9,12,16,20H,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyDXJGHZFJJFYLMD-MRXNPFEDSA-N
MW360.48 g/mol
LogP1.70
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide (PubChem CID 166097329) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
PubChem CID166097329
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O2S/c1-21(2)18-9-8-17(12-19-18)25(23,24)20-16-10-11-22(14-16)13-15-6-4-3-5-7-15/h3-9,12,16,20H,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyDXJGHZFJJFYLMD-MRXNPFEDSA-N
XLogP1.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097338
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-sulfonamide
CID 166097333
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712
1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine
CID 42958012
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide (CID 166097329) is N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide is CN(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide?
The InChIKey is DXJGHZFJJFYLMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21(2)18-9-8-17(12-19-18)25(23,24)20-16-10-11-22(14-16)13-15-6-4-3-5-7-15/h3-9,12,16,20H,10-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 166097329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).