2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine

C11H22ClNO3S — CID 55186517

IUPAC2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine
SMILESCCOCCS(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C11H22ClNO3S/c1-2-16-9-10-17(14,15)13-8-4-6-11(13)5-3-7-12/h11H,2-10H2,1H3
InChIKeyYDCWIIURSQPRCN-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.84
Rot. Bonds8

About 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine

2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine (PubChem CID 55186517) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine
PubChem CID55186517
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine
SMILESCCOCCS(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C11H22ClNO3S/c1-2-16-9-10-17(14,15)13-8-4-6-11(13)5-3-7-12/h11H,2-10H2,1H3
InChIKeyYDCWIIURSQPRCN-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55187458
3-Chloro-8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 55236630
1-(3-Chloropropylsulfonyl)-2-ethylpyrrolidine
CID 60974114
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
2-(Chloromethyl)-1-(3-methoxypropylsulfonyl)piperidine
CID 63396738
2-(Chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine
CID 63396954
2-(Chloromethyl)-1-(2-methoxyethylsulfonyl)piperidine
CID 63396955
2-(2-Chloroethyl)-1-(2-ethoxyethylsulfonyl)piperidine
CID 63397211
2-(2-Chloroethyl)-1-(2-methoxyethylsulfonyl)piperidine
CID 63397258
2-(Chloromethyl)-1-(oxan-4-ylsulfonyl)pyrrolidine
CID 63397416
2-(Chloromethyl)-1-(3-methoxypropylsulfonyl)pyrrolidine
CID 63397511
2-(Chloromethyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine
CID 63397699

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine (CID 55186517) is 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine is CCOCCS(=O)(=O)N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine?
The InChIKey is YDCWIIURSQPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-2-16-9-10-17(14,15)13-8-4-6-11(13)5-3-7-12/h11H,2-10H2,1H3.
What are the key properties of 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine?
2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine has a molecular weight of 283.82 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(2-ethoxyethylsulfonyl)pyrrolidine is sourced from PubChem (CID 55186517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).