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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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).