2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine

C12H25NS — CID 166715410

IUPAC2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)C1CNC(CC(C)(C)C)C1
InChIInChI=1S/C12H25NS/c1-9(14-5)10-6-11(13-8-10)7-12(2,3)4/h9-11,13H,6-8H2,1-5H3
InChIKeyGPBSZSROUWOHQC-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine

2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine (PubChem CID 166715410) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine
PubChem CID166715410
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)C1CNC(CC(C)(C)C)C1
InChIInChI=1S/C12H25NS/c1-9(14-5)10-6-11(13-8-10)7-12(2,3)4/h9-11,13H,6-8H2,1-5H3
InChIKeyGPBSZSROUWOHQC-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine (CID 166715410) is 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine is CSC(C)C1CNC(CC(C)(C)C)C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine?
The InChIKey is GPBSZSROUWOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-9(14-5)10-6-11(13-8-10)7-12(2,3)4/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine?
2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-(1-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 166715410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).