2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride

C8H14ClNO3S — CID 166669613

IUPAC2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride
SMILESCCCC1C(=O)N(S(=O)(=O)Cl)C1CC
InChIInChI=1S/C8H14ClNO3S/c1-3-5-6-7(4-2)10(8(6)11)14(9,12)13/h6-7H,3-5H2,1-2H3
InChIKeyGWGOPANQRSQCPW-UHFFFAOYSA-N
MW239.72 g/mol
LogP1.51
Rot. Bonds4

About 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride

2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride (PubChem CID 166669613) has the molecular formula C8H14ClNO3S and a molecular weight of 239.72 g/mol. Its IUPAC name is 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride
PubChem CID166669613
Molecular FormulaC8H14ClNO3S
Molecular Weight239.72 g/mol
Exact Mass239.04
IUPAC Name2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride
SMILESCCCC1C(=O)N(S(=O)(=O)Cl)C1CC
InChIInChI=1S/C8H14ClNO3S/c1-3-5-6-7(4-2)10(8(6)11)14(9,12)13/h6-7H,3-5H2,1-2H3
InChIKeyGWGOPANQRSQCPW-UHFFFAOYSA-N
XLogP1.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride?
The IUPAC name of 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride (CID 166669613) is 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride is CCCC1C(=O)N(S(=O)(=O)Cl)C1CC.
What is the InChIKey of 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride?
The InChIKey is GWGOPANQRSQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3S/c1-3-5-6-7(4-2)10(8(6)11)14(9,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride?
2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride has a molecular weight of 239.72 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-3-propylazetidine-1-sulfonyl chloride is sourced from PubChem (CID 166669613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).