[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H21FN2O4S — CID 168674726

IUPAC[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CN1CC(CS(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C12H21FN2O4S/c1-10(14-2-4-19-5-3-14)7-15-8-11(6-12(15)16)9-20(13,17)18/h10-11H,2-9H2,1H3
InChIKeyFXZBWMANFOEXPB-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.15
Rot. Bonds5

About [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674726) has the molecular formula C12H21FN2O4S and a molecular weight of 308.38 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674726
Molecular FormulaC12H21FN2O4S
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CN1CC(CS(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C12H21FN2O4S/c1-10(14-2-4-19-5-3-14)7-15-8-11(6-12(15)16)9-20(13,17)18/h10-11H,2-9H2,1H3
InChIKeyFXZBWMANFOEXPB-UHFFFAOYSA-N
XLogP-0.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-3-[4-(propylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925737
3-[4-(Butylsulfonyl)piperazino]-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925764
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one
CID 71872072
[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674642
tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate
CID 168674683
[1-(3-Morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674716
[1-(1-Methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674795
[1-(1-Methoxy-2-methylpropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675145
[1-(2,2-Dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675148
[1-[2-(4-Ethylpiperazin-1-yl)-2-methylpropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675308
[1-(2-Ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675369
[1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675370

Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674726) is [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(CN1CC(CS(=O)(=O)F)CC1=O)N1CCOCC1.
What is the InChIKey of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is FXZBWMANFOEXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O4S/c1-10(14-2-4-19-5-3-14)7-15-8-11(6-12(15)16)9-20(13,17)18/h10-11H,2-9H2,1H3.
What are the key properties of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 308.38 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).