[1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C10H16FNO3S — CID 166409025

IUPAC[1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CC1C(=O)N1CCC(CS(=O)(=O)F)C1
InChIInChI=1S/C10H16FNO3S/c1-7-4-9(7)10(13)12-3-2-8(5-12)6-16(11,14)15/h7-9H,2-6H2,1H3
InChIKeyYPCVHXWCDLMQMN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds3

About [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 166409025) has the molecular formula C10H16FNO3S and a molecular weight of 249.31 g/mol. Its IUPAC name is [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID166409025
Molecular FormulaC10H16FNO3S
Molecular Weight249.31 g/mol
Exact Mass249.08
IUPAC Name[1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CC1C(=O)N1CCC(CS(=O)(=O)F)C1
InChIInChI=1S/C10H16FNO3S/c1-7-4-9(7)10(13)12-3-2-8(5-12)6-16(11,14)15/h7-9H,2-6H2,1H3
InChIKeyYPCVHXWCDLMQMN-UHFFFAOYSA-N
XLogP0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 166409025) is [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC1CC1C(=O)N1CCC(CS(=O)(=O)F)C1.
What is the InChIKey of [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YPCVHXWCDLMQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3S/c1-7-4-9(7)10(13)12-3-2-8(5-12)6-16(11,14)15/h7-9H,2-6H2,1H3.
What are the key properties of [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 249.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 166409025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).