N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide

C17H28FN3O2S — CID 11537729

IUPACN-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCC(C[C@H](N)Cc1ccccc1F)N1CCC[C@H]1CNS(C)(=O)=O
InChIInChI=1S/C17H28FN3O2S/c1-13(10-15(19)11-14-6-3-4-8-17(14)18)21-9-5-7-16(21)12-20-24(2,22)23/h3-4,6,8,13,15-16,20H,5,7,9-12,19H2,1-2H3/t13?,15-,16-/m0/s1
InChIKeyRGQRTMPERHMMPS-FMYDAXTQSA-N
MW357.50 g/mol
LogP1.49
Rot. Bonds8

About N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide

N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 11537729) has the molecular formula C17H28FN3O2S and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID11537729
Molecular FormulaC17H28FN3O2S
Molecular Weight357.50 g/mol
Exact Mass357.19
IUPAC NameN-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCC(C[C@H](N)Cc1ccccc1F)N1CCC[C@H]1CNS(C)(=O)=O
InChIInChI=1S/C17H28FN3O2S/c1-13(10-15(19)11-14-6-3-4-8-17(14)18)21-9-5-7-16(21)12-20-24(2,22)23/h3-4,6,8,13,15-16,20H,5,7,9-12,19H2,1-2H3/t13?,15-,16-/m0/s1
InChIKeyRGQRTMPERHMMPS-FMYDAXTQSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide (CID 11537729) is N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide is CC(C[C@H](N)Cc1ccccc1F)N1CCC[C@H]1CNS(C)(=O)=O.
What is the InChIKey of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is RGQRTMPERHMMPS-FMYDAXTQSA-N. The full InChI is InChI=1S/C17H28FN3O2S/c1-13(10-15(19)11-14-6-3-4-8-17(14)18)21-9-5-7-16(21)12-20-24(2,22)23/h3-4,6,8,13,15-16,20H,5,7,9-12,19H2,1-2H3/t13?,15-,16-/m0/s1.
What are the key properties of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 11537729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).