[1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H18FNO5S — CID 168675202

IUPAC[1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOC(C)(CN1CC(CS(=O)(=O)F)CC1=O)OC
InChIInChI=1S/C10H18FNO5S/c1-10(16-2,17-3)7-12-5-8(4-9(12)13)6-18(11,14)15/h8H,4-7H2,1-3H3
InChIKeyHCDPHUDJAPHZLN-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.14
Rot. Bonds6

About [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675202) has the molecular formula C10H18FNO5S and a molecular weight of 283.32 g/mol. Its IUPAC name is [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675202
Molecular FormulaC10H18FNO5S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Name[1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOC(C)(CN1CC(CS(=O)(=O)F)CC1=O)OC
InChIInChI=1S/C10H18FNO5S/c1-10(16-2,17-3)7-12-5-8(4-9(12)13)6-18(11,14)15/h8H,4-7H2,1-3H3
InChIKeyHCDPHUDJAPHZLN-UHFFFAOYSA-N
XLogP0.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675202) is [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COC(C)(CN1CC(CS(=O)(=O)F)CC1=O)OC.
What is the InChIKey of [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is HCDPHUDJAPHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO5S/c1-10(16-2,17-3)7-12-5-8(4-9(12)13)6-18(11,14)15/h8H,4-7H2,1-3H3.
What are the key properties of [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 283.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).