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

C14H27FN2O3S — CID 168675277

IUPAC[1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCN(CCC)CCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H27FN2O3S/c1-3-6-16(7-4-2)8-5-9-17-11-13(10-14(17)18)12-21(15,19)20/h13H,3-12H2,1-2H3
InChIKeyLDMCKCMDVHPQPM-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.65
Rot. Bonds10

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

[1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675277) has the molecular formula C14H27FN2O3S and a molecular weight of 322.45 g/mol. Its IUPAC name is [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675277
Molecular FormulaC14H27FN2O3S
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name[1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCN(CCC)CCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H27FN2O3S/c1-3-6-16(7-4-2)8-5-9-17-11-13(10-14(17)18)12-21(15,19)20/h13H,3-12H2,1-2H3
InChIKeyLDMCKCMDVHPQPM-UHFFFAOYSA-N
XLogP1.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
CID 138027452
(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
3-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 146124785
3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 146143534
1-Ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461338
1-Methyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461728
[1-(2-Methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 166409025
[1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674626
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674664
[1-(2-Cyano-3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674698
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699

Frequently Asked Questions

What is the IUPAC name of [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675277) is [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCCN(CCC)CCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LDMCKCMDVHPQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O3S/c1-3-6-16(7-4-2)8-5-9-17-11-13(10-14(17)18)12-21(15,19)20/h13H,3-12H2,1-2H3.
What are the key properties of [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 322.45 g/mol, XLogP of 1.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dipropylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).