[1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H24FN3O3S — CID 168675467

IUPAC[1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCN(CCCN)CCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H24FN3O3S/c1-15(5-2-4-14)6-3-7-16-9-11(8-12(16)17)10-20(13,18)19/h11H,2-10,14H2,1H3
InChIKeyKLPINJXGTXHVNP-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.20
Rot. Bonds9

About [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675467) has the molecular formula C12H24FN3O3S and a molecular weight of 309.41 g/mol. Its IUPAC name is [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675467
Molecular FormulaC12H24FN3O3S
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name[1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCN(CCCN)CCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H24FN3O3S/c1-15(5-2-4-14)6-3-7-16-9-11(8-12(16)17)10-20(13,18)19/h11H,2-10,14H2,1H3
InChIKeyKLPINJXGTXHVNP-UHFFFAOYSA-N
XLogP-0.20
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
(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
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 139017735
N-[3-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]propyl]acetamide
CID 154740482
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[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-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675467) is [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CN(CCCN)CCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is KLPINJXGTXHVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3O3S/c1-15(5-2-4-14)6-3-7-16-9-11(8-12(16)17)10-20(13,18)19/h11H,2-10,14H2,1H3.
What are the key properties of [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 309.41 g/mol, XLogP of -0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).