5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride

C9H11ClN2O3S2 — CID 168710923

IUPAC5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride
SMILESCC(c1nccs1)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H11ClN2O3S2/c1-6(9-11-2-3-16-9)12-5-7(4-8(12)13)17(10,14)15/h2-3,6-7H,4-5H2,1H3
InChIKeyQNZDKVHKIAVDLX-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.37
Rot. Bonds3

About 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride

5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride (PubChem CID 168710923) has the molecular formula C9H11ClN2O3S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride
PubChem CID168710923
Molecular FormulaC9H11ClN2O3S2
Molecular Weight294.79 g/mol
Exact Mass293.99
IUPAC Name5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride
SMILESCC(c1nccs1)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H11ClN2O3S2/c1-6(9-11-2-3-16-9)12-5-7(4-8(12)13)17(10,14)15/h2-3,6-7H,4-5H2,1H3
InChIKeyQNZDKVHKIAVDLX-UHFFFAOYSA-N
XLogP1.37
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
CID 168710917
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710902
1-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710901
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64955458
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710947
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride (CID 168710923) is 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride is CC(c1nccs1)N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride?
The InChIKey is QNZDKVHKIAVDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S2/c1-6(9-11-2-3-16-9)12-5-7(4-8(12)13)17(10,14)15/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride?
5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride has a molecular weight of 294.79 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).