[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H20FNO3S — CID 168676381

IUPAC[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCCCC1
InChIInChI=1S/C12H20FNO3S/c13-18(16,17)9-11-6-12(15)14(8-11)7-10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKeyWBFKESMWFAEMAH-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.71
Rot. Bonds4

About [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676381) has the molecular formula C12H20FNO3S and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676381
Molecular FormulaC12H20FNO3S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCCCC1
InChIInChI=1S/C12H20FNO3S/c13-18(16,17)9-11-6-12(15)14(8-11)7-10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKeyWBFKESMWFAEMAH-UHFFFAOYSA-N
XLogP1.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676381) is [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CC1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is WBFKESMWFAEMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO3S/c13-18(16,17)9-11-6-12(15)14(8-11)7-10-4-2-1-3-5-10/h10-11H,1-9H2.
What are the key properties of [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 277.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).