[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C17H24FNO3S — CID 168674714

IUPAC[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CC(C)(C)c1ccccc1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C17H24FNO3S/c1-13(10-17(2,3)15-7-5-4-6-8-15)19-11-14(9-16(19)20)12-23(18,21)22/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGZVQGTSVHZRFBT-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.89
Rot. Bonds6

About [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674714) has the molecular formula C17H24FNO3S and a molecular weight of 341.45 g/mol. Its IUPAC name is [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674714
Molecular FormulaC17H24FNO3S
Molecular Weight341.45 g/mol
Exact Mass341.15
IUPAC Name[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CC(C)(C)c1ccccc1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C17H24FNO3S/c1-13(10-17(2,3)15-7-5-4-6-8-15)19-11-14(9-16(19)20)12-23(18,21)22/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGZVQGTSVHZRFBT-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-oxo-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674879
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168674837
[1-(2-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675118
[1-[1-(2,5-difluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674739
(2S)-3-(2-bromophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675007
(3S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674692
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674669
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674714) is [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(CC(C)(C)c1ccccc1)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GZVQGTSVHZRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3S/c1-13(10-17(2,3)15-7-5-4-6-8-15)19-11-14(9-16(19)20)12-23(18,21)22/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 341.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).