2,2-dimethyl-4-methylsulfanylpyrrolidine

C7H15NS — CID 145366416

IUPAC2,2-dimethyl-4-methylsulfanylpyrrolidine
SMILESCSC1CNC(C)(C)C1
InChIInChI=1S/C7H15NS/c1-7(2)4-6(9-3)5-8-7/h6,8H,4-5H2,1-3H3
InChIKeyYZIIDRICPCVUTD-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds1

About 2,2-dimethyl-4-methylsulfanylpyrrolidine

2,2-dimethyl-4-methylsulfanylpyrrolidine (PubChem CID 145366416) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylsulfanylpyrrolidine
PubChem CID145366416
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2,2-dimethyl-4-methylsulfanylpyrrolidine
SMILESCSC1CNC(C)(C)C1
InChIInChI=1S/C7H15NS/c1-7(2)4-6(9-3)5-8-7/h6,8H,4-5H2,1-3H3
InChIKeyYZIIDRICPCVUTD-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylsulfanylpyrrolidine?
The IUPAC name of 2,2-dimethyl-4-methylsulfanylpyrrolidine (CID 145366416) is 2,2-dimethyl-4-methylsulfanylpyrrolidine.
What is the SMILES notation for 2,2-dimethyl-4-methylsulfanylpyrrolidine?
The canonical SMILES for 2,2-dimethyl-4-methylsulfanylpyrrolidine is CSC1CNC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-methylsulfanylpyrrolidine?
The InChIKey is YZIIDRICPCVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)4-6(9-3)5-8-7/h6,8H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-methylsulfanylpyrrolidine?
2,2-dimethyl-4-methylsulfanylpyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylsulfanylpyrrolidine is sourced from PubChem (CID 145366416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).