1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride

C9H16ClNO5S — CID 168711121

IUPAC1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOC(C)(CN1CC(S(=O)(=O)Cl)CC1=O)OC
InChIInChI=1S/C9H16ClNO5S/c1-9(15-2,16-3)6-11-5-7(4-8(11)12)17(10,13)14/h7H,4-6H2,1-3H3
InChIKeyZGHFFHRBUJJRKN-UHFFFAOYSA-N
MW285.75 g/mol
LogP0.16
Rot. Bonds5

About 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711121) has the molecular formula C9H16ClNO5S and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711121
Molecular FormulaC9H16ClNO5S
Molecular Weight285.75 g/mol
Exact Mass285.04
IUPAC Name1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOC(C)(CN1CC(S(=O)(=O)Cl)CC1=O)OC
InChIInChI=1S/C9H16ClNO5S/c1-9(15-2,16-3)6-11-5-7(4-8(11)12)17(10,13)14/h7H,4-6H2,1-3H3
InChIKeyZGHFFHRBUJJRKN-UHFFFAOYSA-N
XLogP0.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 50.16
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-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711121) is 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride is COC(C)(CN1CC(S(=O)(=O)Cl)CC1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is ZGHFFHRBUJJRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO5S/c1-9(15-2,16-3)6-11-5-7(4-8(11)12)17(10,13)14/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2,2-dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 285.75 g/mol, XLogP of 0.16, 5 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-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).