1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H23FN2O3S — CID 168713569

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)N(CCN1CC(S(=O)(=O)F)CC1=O)C(C)C
InChIInChI=1S/C12H23FN2O3S/c1-9(2)15(10(3)4)6-5-14-8-11(7-12(14)16)19(13,17)18/h9-11H,5-8H2,1-4H3
InChIKeyOLHBTWPWXCJVLZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713569) has the molecular formula C12H23FN2O3S and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713569
Molecular FormulaC12H23FN2O3S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)N(CCN1CC(S(=O)(=O)F)CC1=O)C(C)C
InChIInChI=1S/C12H23FN2O3S/c1-9(2)15(10(3)4)6-5-14-8-11(7-12(14)16)19(13,17)18/h9-11H,5-8H2,1-4H3
InChIKeyOLHBTWPWXCJVLZ-UHFFFAOYSA-N
XLogP1.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
CID 168713683
1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714021
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713544
1-[3-(4-fluorophenoxy)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714825
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714934
1-[2-[3-(2-aminoethylamino)propylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714844

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713569) is 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CC(C)N(CCN1CC(S(=O)(=O)F)CC1=O)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is OLHBTWPWXCJVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O3S/c1-9(2)15(10(3)4)6-5-14-8-11(7-12(14)16)19(13,17)18/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 294.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).