1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine

C10H21NO2S2 — CID 75390836

IUPAC1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine
SMILESCN1CCCC1CCSCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S2/c1-11-6-3-4-10(11)5-7-14-8-9-15(2,12)13/h10H,3-9H2,1-2H3
InChIKeyLWCUJHKZYNNWRQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.25
Rot. Bonds6

About 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine

1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine (PubChem CID 75390836) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine
PubChem CID75390836
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC Name1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine
SMILESCN1CCCC1CCSCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S2/c1-11-6-3-4-10(11)5-7-14-8-9-15(2,12)13/h10H,3-9H2,1-2H3
InChIKeyLWCUJHKZYNNWRQ-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
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[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
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1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
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(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
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1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
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2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
(1-methylpyrrolidin-2-yl)methanol;yttrium
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(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
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methyl 3-[[(2S)-1-methylpyrrolidin-2-yl]methylsulfanyl]propanoate
CID 138638056

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine (CID 75390836) is 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine is CN1CCCC1CCSCCS(C)(=O)=O.
What is the InChIKey of 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine?
The InChIKey is LWCUJHKZYNNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-11-6-3-4-10(11)5-7-14-8-9-15(2,12)13/h10H,3-9H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine?
1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine has a molecular weight of 251.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine is sourced from PubChem (CID 75390836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).