N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride

C11H21ClF3N3O3S — CID 22732195

IUPACN-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
SMILESCl.NC(CCCNS(=O)(=O)CC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C11H20F3N3O3S.ClH/c12-11(13,14)8-21(19,20)16-5-3-4-9(15)10(18)17-6-1-2-7-17;/h9,16H,1-8,15H2;1H
InChIKeyOMKWTRJNCAUHCW-UHFFFAOYSA-N
MW367.82 g/mol
LogP0.62
Rot. Bonds7

About N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride

N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride (PubChem CID 22732195) has the molecular formula C11H21ClF3N3O3S and a molecular weight of 367.82 g/mol. Its IUPAC name is N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
PubChem CID22732195
Molecular FormulaC11H21ClF3N3O3S
Molecular Weight367.82 g/mol
Exact Mass367.09
IUPAC NameN-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
SMILESCl.NC(CCCNS(=O)(=O)CC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C11H20F3N3O3S.ClH/c12-11(13,14)8-21(19,20)16-5-3-4-9(15)10(18)17-6-1-2-7-17;/h9,16H,1-8,15H2;1H
InChIKeyOMKWTRJNCAUHCW-UHFFFAOYSA-N
XLogP0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride?
The IUPAC name of N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride (CID 22732195) is N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride?
The canonical SMILES for N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride is Cl.NC(CCCNS(=O)(=O)CC(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride?
The InChIKey is OMKWTRJNCAUHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S.ClH/c12-11(13,14)8-21(19,20)16-5-3-4-9(15)10(18)17-6-1-2-7-17;/h9,16H,1-8,15H2;1H.
What are the key properties of N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride?
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride has a molecular weight of 367.82 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride is sourced from PubChem (CID 22732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).