[5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C13H23FN2O3S — CID 168675276

IUPAC[5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C13H23FN2O3S/c1-2-5-15-6-3-12(4-7-15)16-9-11(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3
InChIKeyMSYADNTZHTUQHL-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.01
Rot. Bonds5

About [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675276) has the molecular formula C13H23FN2O3S and a molecular weight of 306.40 g/mol. Its IUPAC name is [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675276
Molecular FormulaC13H23FN2O3S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name[5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C13H23FN2O3S/c1-2-5-15-6-3-12(4-7-15)16-9-11(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3
InChIKeyMSYADNTZHTUQHL-UHFFFAOYSA-N
XLogP1.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Propylsulfonyl)-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 3243034
3-[4-(Ethylsulfonyl)piperazino]-1-isopentyl-2-pyrrolidinone
CID 91913088
1-Isopentyl-3-[4-(isopropylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925890
(4-Fluoro-1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 124055475
1-(Ethanesulfonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053458
4-Fluoro-1-(propane-2-sulfonyl)-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053461
N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidin-2-yl]methanesulfonamide
CID 132358221
1-Cyclopropyl-4-[2-methyl-5-(trifluoromethyl)piperidin-1-yl]sulfonylpyrrolidin-2-one
CID 167863615
[1-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674617
[1-(2-Methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674625
[1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674626
[1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674627

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675276) is [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CCCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MSYADNTZHTUQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3S/c1-2-5-15-6-3-12(4-7-15)16-9-11(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3.
What are the key properties of [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 306.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).