1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride

C9H14FNO3S — CID 138027452

IUPAC1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
SMILESCC1CC1C(=O)N1CCC(S(=O)(=O)F)C1
InChIInChI=1S/C9H14FNO3S/c1-6-4-8(6)9(12)11-3-2-7(5-11)15(10,13)14/h6-8H,2-5H2,1H3
InChIKeyPVRUFSXOFWQIET-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.54
Rot. Bonds2

About 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride

1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 138027452) has the molecular formula C9H14FNO3S and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID138027452
Molecular FormulaC9H14FNO3S
Molecular Weight235.28 g/mol
Exact Mass235.07
IUPAC Name1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
SMILESCC1CC1C(=O)N1CCC(S(=O)(=O)F)C1
InChIInChI=1S/C9H14FNO3S/c1-6-4-8(6)9(12)11-3-2-7(5-11)15(10,13)14/h6-8H,2-5H2,1H3
InChIKeyPVRUFSXOFWQIET-UHFFFAOYSA-N
XLogP0.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride (CID 138027452) is 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride is CC1CC1C(=O)N1CCC(S(=O)(=O)F)C1.
What is the InChIKey of 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is PVRUFSXOFWQIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3S/c1-6-4-8(6)9(12)11-3-2-7(5-11)15(10,13)14/h6-8H,2-5H2,1H3.
What are the key properties of 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride?
1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 235.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 138027452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).