1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C8H13FN2O4S — CID 168713837

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(C)C(=O)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H13FN2O4S/c1-10(2)8(13)5-11-4-6(3-7(11)12)16(9,14)15/h6H,3-5H2,1-2H3
InChIKeyMATYRTLDNCQHDK-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.03
Rot. Bonds3

About 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713837) has the molecular formula C8H13FN2O4S and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713837
Molecular FormulaC8H13FN2O4S
Molecular Weight252.27 g/mol
Exact Mass252.06
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(C)C(=O)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H13FN2O4S/c1-10(2)8(13)5-11-4-6(3-7(11)12)16(9,14)15/h6H,3-5H2,1-2H3
InChIKeyMATYRTLDNCQHDK-UHFFFAOYSA-N
XLogP-1.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713837) is 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CN(C)C(=O)CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is MATYRTLDNCQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O4S/c1-10(2)8(13)5-11-4-6(3-7(11)12)16(9,14)15/h6H,3-5H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 252.27 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).