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

C10H19FN2O3S — CID 168674792

IUPAC[1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(N)CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-2-9(12)3-4-13-6-8(5-10(13)14)7-17(11,15)16/h8-9H,2-7,12H2,1H3
InChIKeyWMJAQXZHLYZYBJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.26
Rot. Bonds6

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

[1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674792) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674792
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name[1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(N)CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-2-9(12)3-4-13-6-8(5-10(13)14)7-17(11,15)16/h8-9H,2-7,12H2,1H3
InChIKeyWMJAQXZHLYZYBJ-UHFFFAOYSA-N
XLogP0.26
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-{[(3r)-1-Cyclopentyl-5-Oxopyrrolidin-3-Yl]methyl}methanesulfonamide
CID 99919595
2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 138046943
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 139017735
[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
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(5-Methylhexan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674705
[1-(6-Methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674706
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674792) is [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCC(N)CCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is WMJAQXZHLYZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c1-2-9(12)3-4-13-6-8(5-10(13)14)7-17(11,15)16/h8-9H,2-7,12H2,1H3.
What are the key properties of [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 266.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).