1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol

C8H15NS — CID 166984302

IUPAC1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol
SMILESC=C1CC(C(C)S)N(C)C1
InChIInChI=1S/C8H15NS/c1-6-4-8(7(2)10)9(3)5-6/h7-8,10H,1,4-5H2,2-3H3
InChIKeyMUGBICRALPEPTE-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.57
Rot. Bonds1

About 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol

1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol (PubChem CID 166984302) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol
PubChem CID166984302
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol
SMILESC=C1CC(C(C)S)N(C)C1
InChIInChI=1S/C8H15NS/c1-6-4-8(7(2)10)9(3)5-6/h7-8,10H,1,4-5H2,2-3H3
InChIKeyMUGBICRALPEPTE-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol 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-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol?
The IUPAC name of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol (CID 166984302) is 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol.
What is the SMILES notation for 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol?
The canonical SMILES for 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol is C=C1CC(C(C)S)N(C)C1.
What is the InChIKey of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol?
The InChIKey is MUGBICRALPEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-4-8(7(2)10)9(3)5-6/h7-8,10H,1,4-5H2,2-3H3.
What are the key properties of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol?
1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol has a molecular weight of 157.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol is sourced from PubChem (CID 166984302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).