N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide

C19H24N2O2S — CID 44578269

IUPACN-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide
SMILESCN1CC[C@H](N(Cc2ccccc2-c2ccccc2)S(C)(=O)=O)C1
InChIInChI=1S/C19H24N2O2S/c1-20-13-12-18(15-20)21(24(2,22)23)14-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18H,12-15H2,1-2H3/t18-/m0/s1
InChIKeyAMBALGQRTVWPRL-SFHVURJKSA-N
MW344.48 g/mol
LogP2.82
Rot. Bonds5

About N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide

N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide (PubChem CID 44578269) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide
PubChem CID44578269
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide
SMILESCN1CC[C@H](N(Cc2ccccc2-c2ccccc2)S(C)(=O)=O)C1
InChIInChI=1S/C19H24N2O2S/c1-20-13-12-18(15-20)21(24(2,22)23)14-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18H,12-15H2,1-2H3/t18-/m0/s1
InChIKeyAMBALGQRTVWPRL-SFHVURJKSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide (CID 44578269) is N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide is CN1CC[C@H](N(Cc2ccccc2-c2ccccc2)S(C)(=O)=O)C1.
What is the InChIKey of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide?
The InChIKey is AMBALGQRTVWPRL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20-13-12-18(15-20)21(24(2,22)23)14-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18H,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide?
N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 44578269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).