1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C11H20FN3O3S — CID 168713877

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN1CCN(CCN2CC(S(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C11H20FN3O3S/c1-13-2-4-14(5-3-13)6-7-15-9-10(8-11(15)16)19(12,17)18/h10H,2-9H2,1H3
InChIKeyCLTNTQVGAPKDEC-UHFFFAOYSA-N
MW293.36 g/mol
LogP-0.87
Rot. Bonds4

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713877) has the molecular formula C11H20FN3O3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713877
Molecular FormulaC11H20FN3O3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN1CCN(CCN2CC(S(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C11H20FN3O3S/c1-13-2-4-14(5-3-13)6-7-15-9-10(8-11(15)16)19(12,17)18/h10H,2-9H2,1H3
InChIKeyCLTNTQVGAPKDEC-UHFFFAOYSA-N
XLogP-0.87
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrrolidin-1-ylsulfonyl-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 136519513
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3-difluorobutan-1-one
CID 68170403
1-Ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461338
1-Methyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461728
[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
[1-[2-(2-Methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674780
[1-[2-(2-Ethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674800
[1-[2-[Methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675163
[1-[2-[Di(propan-2-yl)amino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675165
[1-[4-(4-Methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675250
[1-[2-(4-Methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713877) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CN1CCN(CCN2CC(S(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is CLTNTQVGAPKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O3S/c1-13-2-4-14(5-3-13)6-7-15-9-10(8-11(15)16)19(12,17)18/h10H,2-9H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 293.36 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).