1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H17FN2O3S — CID 168713053

IUPAC1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNC1CCCCC1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O3S/c11-17(15,16)7-5-10(14)13(6-7)9-4-2-1-3-8(9)12/h7-9H,1-6,12H2
InChIKeyLZRCARBEXVMCIL-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.16
Rot. Bonds2

About 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713053) has the molecular formula C10H17FN2O3S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713053
Molecular FormulaC10H17FN2O3S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNC1CCCCC1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O3S/c11-17(15,16)7-5-10(14)13(6-7)9-4-2-1-3-8(9)12/h7-9H,1-6,12H2
InChIKeyLZRCARBEXVMCIL-UHFFFAOYSA-N
XLogP0.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide
CID 140917573
[1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674633
[1-(2-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674649
[1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674655
[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674658
(5-Oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674952
[1-(Azepan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674953
[5-oxo-1-[(3R)-piperidin-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675021
[1-(4-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676321
[1-[3-(Cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676388
[1-(6-Aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676400
[1-[3-(Cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676416

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713053) is 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride is NC1CCCCC1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is LZRCARBEXVMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3S/c11-17(15,16)7-5-10(14)13(6-7)9-4-2-1-3-8(9)12/h7-9H,1-6,12H2.
What are the key properties of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 264.32 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).