2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine

C10H20BrNS — CID 102785536

IUPAC2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine
SMILESCCSCCN1CCC(C)C1CBr
InChIInChI=1S/C10H20BrNS/c1-3-13-7-6-12-5-4-9(2)10(12)8-11/h9-10H,3-8H2,1-2H3
InChIKeyLYYWQKUSWUWSSI-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.84
Rot. Bonds5

About 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine

2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine (PubChem CID 102785536) has the molecular formula C10H20BrNS and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine
PubChem CID102785536
Molecular FormulaC10H20BrNS
Molecular Weight266.25 g/mol
Exact Mass265.05
IUPAC Name2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine
SMILESCCSCCN1CCC(C)C1CBr
InChIInChI=1S/C10H20BrNS/c1-3-13-7-6-12-5-4-9(2)10(12)8-11/h9-10H,3-8H2,1-2H3
InChIKeyLYYWQKUSWUWSSI-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(Bromomethyl)-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine
CID 102785366
1,3-Dimethyl-2-(methylsulfanylmethyl)pyrrolidine
CID 89385795
3-Ethyl-4-methylsulfanyl-1-propan-2-ylpyrrolidine
CID 139365134
N-(5-bromopentyl)-N-methylthiolan-3-amine
CID 64202775
N-(3-bromo-2-methylpropyl)-N-methylthiolan-3-amine
CID 64996032
N-[2-(bromomethyl)-2-ethylbutyl]-N-methylthiolan-3-amine
CID 64998867
N-[2-(bromomethyl)butyl]-N-methylthiolan-3-amine
CID 65000545
N-[2-(bromomethyl)pentyl]-N-methylthiolan-3-amine
CID 65011356
N-[2-(bromomethyl)-3-methylbutyl]-N-methylthiolan-3-amine
CID 65012191
4-(5-Bromo-3-methylpentyl)-3-methylthiomorpholine
CID 65652436
N-(5-bromo-3-methylpentyl)-N-methylthiolan-3-amine
CID 65654719
2-(Bromomethyl)-1-(3-ethylsulfonylpropyl)-3-methylpyrrolidine
CID 102785420

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine (CID 102785536) is 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine is CCSCCN1CCC(C)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine?
The InChIKey is LYYWQKUSWUWSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNS/c1-3-13-7-6-12-5-4-9(2)10(12)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine?
2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine has a molecular weight of 266.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2-ethylsulfanylethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102785536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).