1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H16FNO4S — CID 168713209

IUPAC1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCCC(CO)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO4S/c1-2-3-7(6-12)11-5-8(4-9(11)13)16(10,14)15/h7-8,12H,2-6H2,1H3
InChIKeyVYUKRZXCFFJTDF-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.05
Rot. Bonds5

About 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713209) has the molecular formula C9H16FNO4S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713209
Molecular FormulaC9H16FNO4S
Molecular Weight253.29 g/mol
Exact Mass253.08
IUPAC Name1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCCC(CO)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO4S/c1-2-3-7(6-12)11-5-8(4-9(11)13)16(10,14)15/h7-8,12H,2-6H2,1H3
InChIKeyVYUKRZXCFFJTDF-UHFFFAOYSA-N
XLogP0.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713209) is 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is CCCC(CO)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is VYUKRZXCFFJTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO4S/c1-2-3-7(6-12)11-5-8(4-9(11)13)16(10,14)15/h7-8,12H,2-6H2,1H3.
What are the key properties of 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 253.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).