2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride

C6H13Cl2NO2S — CID 75481609

IUPAC2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCN1CCCC1
InChIInChI=1S/C6H12ClNO2S.ClH/c7-11(9,10)6-5-8-3-1-2-4-8;/h1-6H2;1H
InChIKeyRXNAFAYNYYRJHP-UHFFFAOYSA-N
MW234.15 g/mol
LogP1.07
Rot. Bonds3

About 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride

2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride (PubChem CID 75481609) has the molecular formula C6H13Cl2NO2S and a molecular weight of 234.15 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride
PubChem CID75481609
Molecular FormulaC6H13Cl2NO2S
Molecular Weight234.15 g/mol
Exact Mass233.00
IUPAC Name2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCN1CCCC1
InChIInChI=1S/C6H12ClNO2S.ClH/c7-11(9,10)6-5-8-3-1-2-4-8;/h1-6H2;1H
InChIKeyRXNAFAYNYYRJHP-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propylsulfonylpyrrolidine
CID 303057
3-(Pyrrolidin-1-yl)propane-1-sulfonyl chloride hydrochloride
CID 121552753
4-(Dimethylamino)butane-1-sulfonyl chloride hydrochloride
CID 134690752
1-Pyrrolidinepropanesulfonic acid
CID 11171539
2-(Pyrrolidin-1-YL)ethanesulfonyl chloride
CID 55279944
2-(3-Fluoropyrrolidin-1-yl)ethanesulfinate
CID 68950867
4-Fluoro-1-methylpyrrolidine-3-sulfonyl chloride
CID 141729473
3-(Pyrrolidin-1-yl)propane-1-sulfonyl chloride
CID 99110085
2-(Pyrrolidin-1-yl)ethane-1-sulfonyl fluoride
CID 165651852
3-(Pyrrolidin-1-yl)propane-1-sulfonyl fluoride
CID 165745328
1-Ethylsulfonylpyrrolidine
CID 4387144
1-Propan-2-ylsulfonylpyrrolidine
CID 15646437

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride (CID 75481609) is 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)CCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride?
The InChIKey is RXNAFAYNYYRJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S.ClH/c7-11(9,10)6-5-8-3-1-2-4-8;/h1-6H2;1H.
What are the key properties of 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride?
2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride has a molecular weight of 234.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 75481609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).