2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione

C9H19N3S — CID 168883475

IUPAC2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione
SMILESCN(C)N(C)CCC1NCCC1=S
InChIInChI=1S/C9H19N3S/c1-11(2)12(3)7-5-8-9(13)4-6-10-8/h8,10H,4-7H2,1-3H3
InChIKeyPTJWELYONJDKOO-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.52
Rot. Bonds4

About 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione

2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione (PubChem CID 168883475) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione.

Molecular Properties

Compound Name2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione
PubChem CID168883475
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione
SMILESCN(C)N(C)CCC1NCCC1=S
InChIInChI=1S/C9H19N3S/c1-11(2)12(3)7-5-8-9(13)4-6-10-8/h8,10H,4-7H2,1-3H3
InChIKeyPTJWELYONJDKOO-UHFFFAOYSA-N
XLogP0.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601014
2-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601955
2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
CID 168883162
2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione
CID 168883286
2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601035
2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601985
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
2-(1,3-diazinan-2-yl)-N,N-dimethylethanamine
CID 91001092
2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine
CID 137229858
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
N,N-dimethyl-4-piperidin-2-ylbutan-1-amine
CID 15057317

Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione?
The IUPAC name of 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione (CID 168883475) is 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione.
What is the SMILES notation for 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione?
The canonical SMILES for 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione is CN(C)N(C)CCC1NCCC1=S.
What is the InChIKey of 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione?
The InChIKey is PTJWELYONJDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-11(2)12(3)7-5-8-9(13)4-6-10-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione?
2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione has a molecular weight of 201.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione is sourced from PubChem (CID 168883475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).