3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine

C11H16ClNO2S2 — CID 63400980

IUPAC3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CCl)C2)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-10-3-4-11(16-10)17(14,15)13-6-5-9(7-12)8-13/h3-4,9H,2,5-8H2,1H3
InChIKeyOFQHCWINGMPOCS-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.56
Rot. Bonds4

About 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine

3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine (PubChem CID 63400980) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
PubChem CID63400980
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CCl)C2)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-10-3-4-11(16-10)17(14,15)13-6-5-9(7-12)8-13/h3-4,9H,2,5-8H2,1H3
InChIKeyOFQHCWINGMPOCS-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
CID 126853878
2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
CID 138989165
3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane
CID 121146791
methyl 5-[[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 166623600
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine (CID 63400980) is 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine is CCc1ccc(S(=O)(=O)N2CCC(CCl)C2)s1.
What is the InChIKey of 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is OFQHCWINGMPOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-2-10-3-4-11(16-10)17(14,15)13-6-5-9(7-12)8-13/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 293.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 63400980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).