1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine

C19H22F2N2O2S — CID 133473353

IUPAC1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H22F2N2O2S/c1-14-11-23(12-15-5-3-2-4-6-15)13-18(14)22-16-7-9-17(10-8-16)26(24,25)19(20)21/h2-10,14,18-19,22H,11-13H2,1H3
InChIKeyUIUDWMDOQFADCG-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.62
Rot. Bonds6

About 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine

1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine (PubChem CID 133473353) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
PubChem CID133473353
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H22F2N2O2S/c1-14-11-23(12-15-5-3-2-4-6-15)13-18(14)22-16-7-9-17(10-8-16)26(24,25)19(20)21/h2-10,14,18-19,22H,11-13H2,1H3
InChIKeyUIUDWMDOQFADCG-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-[4-(difluoromethylsulfonyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43455310
(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
CID 59394921
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
CID 133473240
N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
CID 133473298
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-methylsulfonylphenyl]ethanone
CID 133473314
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469
(4S)-1-benzyl-N-[2-chloro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 162250420
[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol
CID 133473258

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine (CID 133473353) is 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccccc2)CC1Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
The InChIKey is UIUDWMDOQFADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c1-14-11-23(12-15-5-3-2-4-6-15)13-18(14)22-16-7-9-17(10-8-16)26(24,25)19(20)21/h2-10,14,18-19,22H,11-13H2,1H3.
What are the key properties of 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine has a molecular weight of 380.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 133473353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).