3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide

C15H23N3O2S — CID 156605285

IUPAC3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1CC(N)C(C2CC2)C1
InChIInChI=1S/C15H23N3O2S/c1-17(9-12-5-3-2-4-6-12)21(19,20)18-10-14(13-7-8-13)15(16)11-18/h2-6,13-15H,7-11,16H2,1H3
InChIKeyKHWUYMPARZFSKI-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide

3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide (PubChem CID 156605285) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
PubChem CID156605285
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1CC(N)C(C2CC2)C1
InChIInChI=1S/C15H23N3O2S/c1-17(9-12-5-3-2-4-6-12)21(19,20)18-10-14(13-7-8-13)15(16)11-18/h2-6,13-15H,7-11,16H2,1H3
InChIKeyKHWUYMPARZFSKI-UHFFFAOYSA-N
XLogP1.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
(3R,4S)-N-benzyl-3-(dimethylamino)-N-methyl-4-propan-2-ylpyrrolidine-1-sulfonamide
CID 164629694
4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
CID 63594648
(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70751859
(1S,5S)-N-benzyl-N-methyl-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133128916
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
CID 94173454
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
3-[[benzyl(propan-2-yl)amino]methyl]-1-methylpiperidin-4-amine
CID 82171540
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide (CID 156605285) is 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)N1CC(N)C(C2CC2)C1.
What is the InChIKey of 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is KHWUYMPARZFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17(9-12-5-3-2-4-6-12)21(19,20)18-10-14(13-7-8-13)15(16)11-18/h2-6,13-15H,7-11,16H2,1H3.
What are the key properties of 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 156605285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).