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

C13H25FN2O3S — CID 168675165

IUPAC[1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)N(CCN1CC(CS(=O)(=O)F)CC1=O)C(C)C
InChIInChI=1S/C13H25FN2O3S/c1-10(2)16(11(3)4)6-5-15-8-12(7-13(15)17)9-20(14,18)19/h10-12H,5-9H2,1-4H3
InChIKeyIPWRWZHMESLBOC-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.25
Rot. Bonds7

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

[1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675165) has the molecular formula C13H25FN2O3S and a molecular weight of 308.42 g/mol. Its IUPAC name is [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675165
Molecular FormulaC13H25FN2O3S
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name[1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)N(CCN1CC(CS(=O)(=O)F)CC1=O)C(C)C
InChIInChI=1S/C13H25FN2O3S/c1-10(2)16(11(3)4)6-5-15-8-12(7-13(15)17)9-20(14,18)19/h10-12H,5-9H2,1-4H3
InChIKeyIPWRWZHMESLBOC-UHFFFAOYSA-N
XLogP1.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.25
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-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675165) is [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)N(CCN1CC(CS(=O)(=O)F)CC1=O)C(C)C.
What is the InChIKey of [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is IPWRWZHMESLBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O3S/c1-10(2)16(11(3)4)6-5-15-8-12(7-13(15)17)9-20(14,18)19/h10-12H,5-9H2,1-4H3.
What are the key properties of [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 308.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).