1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol

C8H15NS — CID 126698746

IUPAC1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol
SMILESC=C1C(C)C(S)C(C)N1C
InChIInChI=1S/C8H15NS/c1-5-6(2)9(4)7(3)8(5)10/h5,7-8,10H,2H2,1,3-4H3
InChIKeyOUTGZDJUECBPRF-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.77
Rot. Bonds

About 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol

1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol (PubChem CID 126698746) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol.

Molecular Properties

Compound Name1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol
PubChem CID126698746
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol
SMILESC=C1C(C)C(S)C(C)N1C
InChIInChI=1S/C8H15NS/c1-5-6(2)9(4)7(3)8(5)10/h5,7-8,10H,2H2,1,3-4H3
InChIKeyOUTGZDJUECBPRF-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol 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 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol?
The IUPAC name of 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol (CID 126698746) is 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol.
What is the SMILES notation for 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol?
The canonical SMILES for 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol is C=C1C(C)C(S)C(C)N1C.
What is the InChIKey of 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol?
The InChIKey is OUTGZDJUECBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-6(2)9(4)7(3)8(5)10/h5,7-8,10H,2H2,1,3-4H3.
What are the key properties of 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol?
1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-methylidenepyrrolidine-3-thiol is sourced from PubChem (CID 126698746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).