2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine

C10H19ClN2O2S — CID 102788479

IUPAC2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine
SMILESCC1CCN(S(=O)(=O)N2CCCC2)C1CCl
InChIInChI=1S/C10H19ClN2O2S/c1-9-4-7-13(10(9)8-11)16(14,15)12-5-2-3-6-12/h9-10H,2-8H2,1H3
InChIKeyJRGBTXGAMCLCEO-UHFFFAOYSA-N
MW266.79 g/mol
LogP1.28
Rot. Bonds3

About 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine

2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine (PubChem CID 102788479) has the molecular formula C10H19ClN2O2S and a molecular weight of 266.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine
PubChem CID102788479
Molecular FormulaC10H19ClN2O2S
Molecular Weight266.79 g/mol
Exact Mass266.09
IUPAC Name2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine
SMILESCC1CCN(S(=O)(=O)N2CCCC2)C1CCl
InChIInChI=1S/C10H19ClN2O2S/c1-9-4-7-13(10(9)8-11)16(14,15)12-5-2-3-6-12/h9-10H,2-8H2,1H3
InChIKeyJRGBTXGAMCLCEO-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-cyclopropylsulfonyl-3-methylpyrrolidine
CID 102788585
[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 124835693
2-(chloromethyl)-3-methyl-1-(3-methylbutylsulfonyl)pyrrolidine
CID 102788511
1-butylsulfonyl-2-(chloromethyl)-3-methylpyrrolidine
CID 102788521
2-(chloromethyl)-1-(3,3-dimethylbutylsulfonyl)-3-methylpyrrolidine
CID 103521870
1-(azepan-1-ylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937258
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidine
CID 102788483
2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
CID 55185745
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
CID 102786836
2-(chloromethyl)-1-(2,5-dichlorophenyl)sulfonyl-3-methylpyrrolidine
CID 102788504

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine (CID 102788479) is 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine is CC1CCN(S(=O)(=O)N2CCCC2)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine?
The InChIKey is JRGBTXGAMCLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2S/c1-9-4-7-13(10(9)8-11)16(14,15)12-5-2-3-6-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine?
2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine has a molecular weight of 266.79 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine is sourced from PubChem (CID 102788479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).