2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine

C10H20BrNS — CID 102785647

IUPAC2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine
SMILESCSCCCN1CCC(C)C1CBr
InChIInChI=1S/C10H20BrNS/c1-9-4-6-12(10(9)8-11)5-3-7-13-2/h9-10H,3-8H2,1-2H3
InChIKeyFVPHQNNUUFECCT-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.84
Rot. Bonds5

About 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine

2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine (PubChem CID 102785647) has the molecular formula C10H20BrNS and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine
PubChem CID102785647
Molecular FormulaC10H20BrNS
Molecular Weight266.25 g/mol
Exact Mass265.05
IUPAC Name2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine
SMILESCSCCCN1CCC(C)C1CBr
InChIInChI=1S/C10H20BrNS/c1-9-4-6-12(10(9)8-11)5-3-7-13-2/h9-10H,3-8H2,1-2H3
InChIKeyFVPHQNNUUFECCT-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

(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine
CID 146490757
2-(Bromomethyl)-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine
CID 102785366
3-(Methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
2-(Methylsulfanylmethyl)-1,3-di(propan-2-yl)pyrrolidine
CID 58778428
3-(Methylsulfanylmethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778431
4-Methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
CID 89385788
1,3-Dimethyl-2-(methylsulfanylmethyl)pyrrolidine
CID 89385795
(2R)-1,2-dimethyl-4-(methylsulfanylmethyl)pyrrolidine
CID 89595642
1-Ethyl-2-methyl-4-(methylsulfanylmethyl)pyrrolidine
CID 91294419
3-Ethyl-4-methylsulfanyl-1-propan-2-ylpyrrolidine
CID 139365134
1,4-Dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane
CID 142151788
4-Butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine
CID 142650693

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine (CID 102785647) is 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine is CSCCCN1CCC(C)C1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine?
The InChIKey is FVPHQNNUUFECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNS/c1-9-4-6-12(10(9)8-11)5-3-7-13-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine?
2-(bromomethyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine 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)-3-methyl-1-(3-methylsulfanylpropyl)pyrrolidine is sourced from PubChem (CID 102785647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).