1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H19ClN2O4S — CID 168710880

IUPAC1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC(CN1CC(S(=O)(=O)Cl)CC1=O)N1CCOCC1
InChIInChI=1S/C11H19ClN2O4S/c1-9(13-2-4-18-5-3-13)7-14-8-10(6-11(14)15)19(12,16)17/h9-10H,2-8H2,1H3
InChIKeyQBIQPUQHEPDASE-UHFFFAOYSA-N
MW310.80 g/mol
LogP-0.12
Rot. Bonds4

About 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168710880) has the molecular formula C11H19ClN2O4S and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168710880
Molecular FormulaC11H19ClN2O4S
Molecular Weight310.80 g/mol
Exact Mass310.08
IUPAC Name1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC(CN1CC(S(=O)(=O)Cl)CC1=O)N1CCOCC1
InChIInChI=1S/C11H19ClN2O4S/c1-9(13-2-4-18-5-3-13)7-14-8-10(6-11(14)15)19(12,16)17/h9-10H,2-8H2,1H3
InChIKeyQBIQPUQHEPDASE-UHFFFAOYSA-N
XLogP-0.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168710880) is 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride is CC(CN1CC(S(=O)(=O)Cl)CC1=O)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is QBIQPUQHEPDASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O4S/c1-9(13-2-4-18-5-3-13)7-14-8-10(6-11(14)15)19(12,16)17/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 310.80 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).