1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

C8H13F3N2O3S — CID 117063799

IUPAC1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)17(15,16)12-4-2-6-13-5-1-3-7(13)14/h12H,1-6H2
InChIKeyGJFBSRAYXKUHIE-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.44
Rot. Bonds5

About 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 117063799) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID117063799
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)17(15,16)12-4-2-6-13-5-1-3-7(13)14/h12H,1-6H2
InChIKeyGJFBSRAYXKUHIE-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.44
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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Related Compounds

2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86102547
4-(2,5-dioxopyrrolidin-1-yl)-N-(trifluoromethylsulfonyl)butanamide
CID 90059814
3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 86922857
N-(3-amino-2,2-difluoropropyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120408189
N-(3-amino-2,2-difluoropropyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 120408190
1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide
CID 130714969
N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
CID 136519936
N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 136526294
3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide
CID 136536125
N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 22204015
methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 161220759
1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 63666144

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (CID 117063799) is 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is O=C1CCCN1CCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is GJFBSRAYXKUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)17(15,16)12-4-2-6-13-5-1-3-7(13)14/h12H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 274.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 117063799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).