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

C10H17FN2O4S — CID 168675213

IUPAC[1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(=O)NCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O4S/c1-8(14)12-3-2-4-13-6-9(5-10(13)15)7-18(11,16)17/h9H,2-7H2,1H3,(H,12,14)
InChIKeyIKCJSSBHCXUQKU-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.34
Rot. Bonds6

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

[1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675213) has the molecular formula C10H17FN2O4S and a molecular weight of 280.32 g/mol. Its IUPAC name is [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675213
Molecular FormulaC10H17FN2O4S
Molecular Weight280.32 g/mol
Exact Mass280.09
IUPAC Name[1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(=O)NCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O4S/c1-8(14)12-3-2-4-13-6-9(5-10(13)15)7-18(11,16)17/h9H,2-7H2,1H3,(H,12,14)
InChIKeyIKCJSSBHCXUQKU-UHFFFAOYSA-N
XLogP-0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245033
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
(3S)-N-(2-methylpropylsulfonyl)-1-propanoylpyrrolidine-3-carboxamide
CID 164637647
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylpropane-1-sulfonamide
CID 164638512
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
[(3S,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452565
[(3R,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452567
[(3S,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452569
(3,4-Dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 131492641
N-[3-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]propyl]acetamide
CID 154740482
[1-[[1-(2-Methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674707

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675213) is [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(=O)NCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is IKCJSSBHCXUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O4S/c1-8(14)12-3-2-4-13-6-9(5-10(13)15)7-18(11,16)17/h9H,2-7H2,1H3,(H,12,14).
What are the key properties of [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 280.32 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).