1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H12FNO4S — CID 168714573

IUPAC1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1ccc(CN2CC(S(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C10H12FNO4S/c1-7-2-3-8(16-7)5-12-6-9(4-10(12)13)17(11,14)15/h2-3,9H,4-6H2,1H3
InChIKeyFOEFRSCHAZYLHV-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.99
Rot. Bonds3

About 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714573) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714573
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1ccc(CN2CC(S(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C10H12FNO4S/c1-7-2-3-8(16-7)5-12-6-9(4-10(12)13)17(11,14)15/h2-3,9H,4-6H2,1H3
InChIKeyFOEFRSCHAZYLHV-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714487
1-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714971
1-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714996
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713605
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714969
5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
CID 168715104
5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 77073100
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714573) is 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1ccc(CN2CC(S(=O)(=O)F)CC2=O)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FOEFRSCHAZYLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-7-2-3-8(16-7)5-12-6-9(4-10(12)13)17(11,14)15/h2-3,9H,4-6H2,1H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 261.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).