5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride

C11H16ClNO5S — CID 168710999

IUPAC5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride
SMILESC#CCOCCOCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H16ClNO5S/c1-2-4-17-6-7-18-5-3-13-9-10(8-11(13)14)19(12,15)16/h1,10H,3-9H2
InChIKeyONLSQPWNDVNJJB-UHFFFAOYSA-N
MW309.77 g/mol
LogP-0.18
Rot. Bonds8

About 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride

5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride (PubChem CID 168710999) has the molecular formula C11H16ClNO5S and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride
PubChem CID168710999
Molecular FormulaC11H16ClNO5S
Molecular Weight309.77 g/mol
Exact Mass309.04
IUPAC Name5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride
SMILESC#CCOCCOCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H16ClNO5S/c1-2-4-17-6-7-18-5-3-13-9-10(8-11(13)14)19(12,15)16/h1,10H,3-9H2
InChIKeyONLSQPWNDVNJJB-UHFFFAOYSA-N
XLogP-0.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
CID 168683838
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride (CID 168710999) is 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride is C#CCOCCOCCN1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride?
The InChIKey is ONLSQPWNDVNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S/c1-2-4-17-6-7-18-5-3-13-9-10(8-11(13)14)19(12,15)16/h1,10H,3-9H2.
What are the key properties of 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride?
5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride has a molecular weight of 309.77 g/mol, XLogP of -0.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).