[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C15H27FN2O3S — CID 168675250

IUPAC[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCN(CCCCN2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C15H27FN2O3S/c1-13-4-8-17(9-5-13)6-2-3-7-18-11-14(10-15(18)19)12-22(16,20)21/h13-14H,2-12H2,1H3
InChIKeyIFGXNEYKHIREBS-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.65
Rot. Bonds7

About [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675250) has the molecular formula C15H27FN2O3S and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675250
Molecular FormulaC15H27FN2O3S
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCN(CCCCN2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C15H27FN2O3S/c1-13-4-8-17(9-5-13)6-2-3-7-18-11-14(10-15(18)19)12-22(16,20)21/h13-14H,2-12H2,1H3
InChIKeyIFGXNEYKHIREBS-UHFFFAOYSA-N
XLogP1.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
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
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
1-(Propylsulfonyl)-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 3243034
N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide
CID 1081276
(1-Methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 774896
N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 61383887
(4-Fluoro-1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 124055475
N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78866534
1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78888802
1-(Ethanesulfonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053458
4-Fluoro-1-(propane-2-sulfonyl)-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053461
4-Fluoro-1-methanesulfonyl-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053462

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675250) is [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC1CCN(CCCCN2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is IFGXNEYKHIREBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O3S/c1-13-4-8-17(9-5-13)6-2-3-7-18-11-14(10-15(18)19)12-22(16,20)21/h13-14H,2-12H2,1H3.
What are the key properties of [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 334.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).