N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide

C10H19F3N2O2S — CID 97239884

IUPACN-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(CCCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)14-9-4-7-15(8-9)6-3-2-5-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1
InChIKeyFELBFDLHPSZHBU-VIFPVBQESA-N
MW288.34 g/mol
LogP1.34
Rot. Bonds6

About N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 97239884) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID97239884
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(CCCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)14-9-4-7-15(8-9)6-3-2-5-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1
InChIKeyFELBFDLHPSZHBU-VIFPVBQESA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide (CID 97239884) is N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCN(CCCCC(F)(F)F)C1.
What is the InChIKey of N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FELBFDLHPSZHBU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)14-9-4-7-15(8-9)6-3-2-5-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97239884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).