5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide

C23H28F3N2O3PS — CID 102199811

IUPAC5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide
SMILESO=C(CCCCN1CCC[C@H]1CP(c1ccccc1)c1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C23H28F3N2O3PS/c24-23(25,26)33(30,31)27-22(29)15-7-8-16-28-17-9-10-19(28)18-32(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,11-14,19H,7-10,15-18H2,(H,27,29)/t19-/m0/s1
InChIKeyOUNMMXZFCGJGGT-IBGZPJMESA-N
MW500.52 g/mol
LogP3.72
Rot. Bonds10

About 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide

5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide (PubChem CID 102199811) has the molecular formula C23H28F3N2O3PS and a molecular weight of 500.52 g/mol. Its IUPAC name is 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide.

Molecular Properties

Compound Name5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide
PubChem CID102199811
Molecular FormulaC23H28F3N2O3PS
Molecular Weight500.52 g/mol
Exact Mass500.15
IUPAC Name5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide
SMILESO=C(CCCCN1CCC[C@H]1CP(c1ccccc1)c1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C23H28F3N2O3PS/c24-23(25,26)33(30,31)27-22(29)15-7-8-16-28-17-9-10-19(28)18-32(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,11-14,19H,7-10,15-18H2,(H,27,29)/t19-/m0/s1
InChIKeyOUNMMXZFCGJGGT-IBGZPJMESA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 15534450
CID 11386099
CID 11386099
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
CID 61407133
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
CID 53427371
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
2,2,2-trifluoroacetic acid;[(2S)-1-[3-[2-(trifluoromethyl)phenoxy]propyl]pyrrolidin-2-yl]methanol
CID 174697485
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide?
The IUPAC name of 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide (CID 102199811) is 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide.
What is the SMILES notation for 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide?
The canonical SMILES for 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide is O=C(CCCCN1CCC[C@H]1CP(c1ccccc1)c1ccccc1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide?
The InChIKey is OUNMMXZFCGJGGT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28F3N2O3PS/c24-23(25,26)33(30,31)27-22(29)15-7-8-16-28-17-9-10-19(28)18-32(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,11-14,19H,7-10,15-18H2,(H,27,29)/t19-/m0/s1.
What are the key properties of 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide?
5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide has a molecular weight of 500.52 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide is sourced from PubChem (CID 102199811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).