1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H17FN2O3S — CID 168713059

IUPAC1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESN[C@H]1CCCC[C@@H]1N1CC(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/t7?,8-,9-/m0/s1
InChIKeyLZRCARBEXVMCIL-NPPUSCPJSA-N
MW264.32 g/mol
LogP0.16
Rot. Bonds2

About 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713059) has the molecular formula C10H17FN2O3S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713059
Molecular FormulaC10H17FN2O3S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESN[C@H]1CCCC[C@@H]1N1CC(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/t7?,8-,9-/m0/s1
InChIKeyLZRCARBEXVMCIL-NPPUSCPJSA-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

1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716381
1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716390
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713037
1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
CID 168686792
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550
1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
CID 168683470
S-[1-(2-aminocyclohexyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704218
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716348
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
ethyl 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168713733
tert-butyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 168713024

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713059) is 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride is N[C@H]1CCCC[C@@H]1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is LZRCARBEXVMCIL-NPPUSCPJSA-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/t7?,8-,9-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[(1S,2S)-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-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).