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

C10H21N3S — CID 168883286

IUPAC2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione
SMILESCN(C)CCN(C)CC1NCCC1=S
InChIInChI=1S/C10H21N3S/c1-12(2)6-7-13(3)8-9-10(14)4-5-11-9/h9,11H,4-8H2,1-3H3
InChIKeyZXDIEHYTPNYJRS-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.21
Rot. Bonds5

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

2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione (PubChem CID 168883286) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione
PubChem CID168883286
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione
SMILESCN(C)CCN(C)CC1NCCC1=S
InChIInChI=1S/C10H21N3S/c1-12(2)6-7-13(3)8-9-10(14)4-5-11-9/h9,11H,4-8H2,1-3H3
InChIKeyZXDIEHYTPNYJRS-UHFFFAOYSA-N
XLogP0.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
CID 168883162
2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione
CID 168883475
2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601985
2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601035
2-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601014
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286
N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 79384952
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
CID 63701207
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
CID 103058009
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione (CID 168883286) is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione is CN(C)CCN(C)CC1NCCC1=S.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione?
The InChIKey is ZXDIEHYTPNYJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-12(2)6-7-13(3)8-9-10(14)4-5-11-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione?
2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione has a molecular weight of 215.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione is sourced from PubChem (CID 168883286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).