1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C7H12FNO4S — CID 168714823

IUPAC1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCCO
InChIInChI=1S/C7H12FNO4S/c8-14(12,13)6-4-7(11)9(5-6)2-1-3-10/h6,10H,1-5H2
InChIKeyGOBOCPRCPLOIDB-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.73
Rot. Bonds4

About 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714823) has the molecular formula C7H12FNO4S and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714823
Molecular FormulaC7H12FNO4S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCCO
InChIInChI=1S/C7H12FNO4S/c8-14(12,13)6-4-7(11)9(5-6)2-1-3-10/h6,10H,1-5H2
InChIKeyGOBOCPRCPLOIDB-UHFFFAOYSA-N
XLogP-0.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714021
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
1-[3-(4-fluorophenoxy)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714825
1-[2-[3-(2-aminoethylamino)propylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714844
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714934
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714823) is 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is GOBOCPRCPLOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO4S/c8-14(12,13)6-4-7(11)9(5-6)2-1-3-10/h6,10H,1-5H2.
What are the key properties of 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 225.24 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).