N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide

C19H25N3O2S — CID 112742796

IUPACN-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1CC(Nc2ccccc2NS(C)(=O)=O)CN1Cc1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-15-12-17(14-22(15)13-16-8-4-3-5-9-16)20-18-10-6-7-11-19(18)21-25(2,23)24/h3-11,15,17,20-21H,12-14H2,1-2H3
InChIKeyTUBCYPYCHQZMOX-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide

N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 112742796) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
PubChem CID112742796
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1CC(Nc2ccccc2NS(C)(=O)=O)CN1Cc1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-15-12-17(14-22(15)13-16-8-4-3-5-9-16)20-18-10-6-7-11-19(18)21-25(2,23)24/h3-11,15,17,20-21H,12-14H2,1-2H3
InChIKeyTUBCYPYCHQZMOX-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-methyl-N-(3-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133414405
1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
CID 130528224
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
CID 131197683
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
CID 131008130
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine
CID 130164851
2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
CID 131097771
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 109457729
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide (CID 112742796) is N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide is CC1CC(Nc2ccccc2NS(C)(=O)=O)CN1Cc1ccccc1.
What is the InChIKey of N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is TUBCYPYCHQZMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-12-17(14-22(15)13-16-8-4-3-5-9-16)20-18-10-6-7-11-19(18)21-25(2,23)24/h3-11,15,17,20-21H,12-14H2,1-2H3.
What are the key properties of N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide?
N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 112742796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).