N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide

C9H15F3N2O4S — CID 60562502

IUPACN-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H15F3N2O4S/c10-9(11,12)7-18-6-3-8(15)13-19(16,17)14-4-1-2-5-14/h1-7H2,(H,13,15)
InChIKeyLSTFWOXYVYXSEC-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.41
Rot. Bonds6

About N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide

N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 60562502) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID60562502
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC NameN-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H15F3N2O4S/c10-9(11,12)7-18-6-3-8(15)13-19(16,17)14-4-1-2-5-14/h1-7H2,(H,13,15)
InChIKeyLSTFWOXYVYXSEC-UHFFFAOYSA-N
XLogP0.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide
CID 170949041
N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide
CID 75419936
N-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxy)propanamide
CID 82724826
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
(2S)-3-hydroxy-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanoic acid
CID 61152760
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43500828
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113344912
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
N-(1,3-dibromo-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212608
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43354992

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 60562502) is N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is LSTFWOXYVYXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4S/c10-9(11,12)7-18-6-3-8(15)13-19(16,17)14-4-1-2-5-14/h1-7H2,(H,13,15).
What are the key properties of N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 304.29 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 60562502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).