1-tert-butyl-3-methylsulfanylpyrrolidine

C9H19NS — CID 143329311

IUPAC1-tert-butyl-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H19NS/c1-9(2,3)10-6-5-8(7-10)11-4/h8H,5-7H2,1-4H3
InChIKeyVGVYDLFFDHYRGO-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds1

About 1-tert-butyl-3-methylsulfanylpyrrolidine

1-tert-butyl-3-methylsulfanylpyrrolidine (PubChem CID 143329311) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-tert-butyl-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-methylsulfanylpyrrolidine
PubChem CID143329311
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-tert-butyl-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H19NS/c1-9(2,3)10-6-5-8(7-10)11-4/h8H,5-7H2,1-4H3
InChIKeyVGVYDLFFDHYRGO-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-methylsulfanylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylsulfanylpyrrolidine?
The IUPAC name of 1-tert-butyl-3-methylsulfanylpyrrolidine (CID 143329311) is 1-tert-butyl-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-methylsulfanylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3-methylsulfanylpyrrolidine is CSC1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-methylsulfanylpyrrolidine?
The InChIKey is VGVYDLFFDHYRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)10-6-5-8(7-10)11-4/h8H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylsulfanylpyrrolidine?
1-tert-butyl-3-methylsulfanylpyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 143329311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).