[1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H19FN2O3S — CID 168676321

IUPAC[1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNC1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C11H19FN2O3S/c12-18(16,17)7-8-5-11(15)14(6-8)10-3-1-9(13)2-4-10/h8-10H,1-7,13H2
InChIKeyURKHQNAXPFQGJL-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.40
Rot. Bonds3

About [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676321) has the molecular formula C11H19FN2O3S and a molecular weight of 278.35 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676321
Molecular FormulaC11H19FN2O3S
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name[1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNC1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C11H19FN2O3S/c12-18(16,17)7-8-5-11(15)14(6-8)10-3-1-9(13)2-4-10/h8-10H,1-7,13H2
InChIKeyURKHQNAXPFQGJL-UHFFFAOYSA-N
XLogP0.40
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676321) is [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is NC1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is URKHQNAXPFQGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3S/c12-18(16,17)7-8-5-11(15)14(6-8)10-3-1-9(13)2-4-10/h8-10H,1-7,13H2.
What are the key properties of [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).