N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide

C16H24FN3O3S — CID 59651727

IUPACN-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1ccccc1F
InChIInChI=1S/C16H24FN3O3S/c1-24(22,23)19-11-14-6-4-8-20(14)16(21)10-13(18)9-12-5-2-3-7-15(12)17/h2-3,5,7,13-14,19H,4,6,8-11,18H2,1H3/t13-,14+/m1/s1
InChIKeyICQLBXHRVAVPFT-KGLIPLIRSA-N
MW357.45 g/mol
LogP0.63
Rot. Bonds7

About N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide

N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 59651727) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID59651727
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1ccccc1F
InChIInChI=1S/C16H24FN3O3S/c1-24(22,23)19-11-14-6-4-8-20(14)16(21)10-13(18)9-12-5-2-3-7-15(12)17/h2-3,5,7,13-14,19H,4,6,8-11,18H2,1H3/t13-,14+/m1/s1
InChIKeyICQLBXHRVAVPFT-KGLIPLIRSA-N
XLogP0.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide (CID 59651727) is N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1ccccc1F.
What is the InChIKey of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is ICQLBXHRVAVPFT-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-24(22,23)19-11-14-6-4-8-20(14)16(21)10-13(18)9-12-5-2-3-7-15(12)17/h2-3,5,7,13-14,19H,4,6,8-11,18H2,1H3/t13-,14+/m1/s1.
What are the key properties of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59651727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).