[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H19FN2O3S — CID 168674658

IUPAC[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESN[C@@H]1CCCC[C@@H]1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H19FN2O3S/c12-18(16,17)7-8-5-11(15)14(6-8)10-4-2-1-3-9(10)13/h8-10H,1-7,13H2/t8?,9-,10+/m1/s1
InChIKeyOPRVPSQYATXHSR-XVBQNVSMSA-N
MW278.35 g/mol
LogP0.40
Rot. Bonds3

About [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674658) has the molecular formula C11H19FN2O3S and a molecular weight of 278.35 g/mol. Its IUPAC name is [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674658
Molecular FormulaC11H19FN2O3S
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESN[C@@H]1CCCC[C@@H]1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H19FN2O3S/c12-18(16,17)7-8-5-11(15)14(6-8)10-4-2-1-3-9(10)13/h8-10H,1-7,13H2/t8?,9-,10+/m1/s1
InChIKeyOPRVPSQYATXHSR-XVBQNVSMSA-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-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674658) is [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is N[C@@H]1CCCC[C@@H]1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OPRVPSQYATXHSR-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H19FN2O3S/c12-18(16,17)7-8-5-11(15)14(6-8)10-4-2-1-3-9(10)13/h8-10H,1-7,13H2/t8?,9-,10+/m1/s1.
What are the key properties of [1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(1S,2R)-2-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-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).