[1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C8H15FN2O3S — CID 168674723

IUPAC[1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CN)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H15FN2O3S/c1-6(3-10)11-4-7(2-8(11)12)5-15(9,13)14/h6-7H,2-5,10H2,1H3
InChIKeyJOCHGUQFSAIOKF-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.52
Rot. Bonds4

About [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674723) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674723
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name[1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CN)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H15FN2O3S/c1-6(3-10)11-4-7(2-8(11)12)5-15(9,13)14/h6-7H,2-5,10H2,1H3
InChIKeyJOCHGUQFSAIOKF-UHFFFAOYSA-N
XLogP-0.52
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 95969047
2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 138046943
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 139017735
[1-(2-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674649
[1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674655
[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674658
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724
tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate
CID 168674727
(1-Butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
[1-(1-Aminopentan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674791
[1-(3-Aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674792

Frequently Asked Questions

What is the IUPAC name of [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674723) is [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(CN)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is JOCHGUQFSAIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-6(3-10)11-4-7(2-8(11)12)5-15(9,13)14/h6-7H,2-5,10H2,1H3.
What are the key properties of [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 238.28 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).