[1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H21FN2O3S — CID 168675163

IUPAC[1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)N(C)CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H21FN2O3S/c1-9(2)13(3)4-5-14-7-10(6-11(14)15)8-18(12,16)17/h9-10H,4-8H2,1-3H3
InChIKeyVSTKLBWEGZEXNU-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.47
Rot. Bonds6

About [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675163) has the molecular formula C11H21FN2O3S and a molecular weight of 280.36 g/mol. Its IUPAC name is [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675163
Molecular FormulaC11H21FN2O3S
Molecular Weight280.36 g/mol
Exact Mass280.13
IUPAC Name[1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)N(C)CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H21FN2O3S/c1-9(2)13(3)4-5-14-7-10(6-11(14)15)8-18(12,16)17/h9-10H,4-8H2,1-3H3
InChIKeyVSTKLBWEGZEXNU-UHFFFAOYSA-N
XLogP0.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(Ethylsulfonyl)piperazino]-1-isopentyl-2-pyrrolidinone
CID 91913088
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylpropane-1-sulfonamide
CID 164638512
2-[(1-Fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride
CID 154879592
2-{[(1-Methylcyclopropyl)methyl](1-propanoylpyrrolidin-3-yl)amino}ethane-1-sulfonyl fluoride
CID 165770907
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672446
[1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674626
[1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674627
[1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674633
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674664
[1-(2-Cyano-3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674698
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(5-Methylhexan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674705

Frequently Asked Questions

What is the IUPAC name of [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675163) is [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)N(C)CCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VSTKLBWEGZEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O3S/c1-9(2)13(3)4-5-14-7-10(6-11(14)15)8-18(12,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 280.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).