2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane

C9H20N2S — CID 168883162

IUPAC2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
SMILESCC.CN(C)CC1NCCC1=S
InChIInChI=1S/C7H14N2S.C2H6/c1-9(2)5-6-7(10)3-4-8-6;1-2/h6,8H,3-5H2,1-2H3;1-2H3
InChIKeyBKWBFERUJCODDT-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.31
Rot. Bonds2

About 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane

2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane (PubChem CID 168883162) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
PubChem CID168883162
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
SMILESCC.CN(C)CC1NCCC1=S
InChIInChI=1S/C7H14N2S.C2H6/c1-9(2)5-6-7(10)3-4-8-6;1-2/h6,8H,3-5H2,1-2H3;1-2H3
InChIKeyBKWBFERUJCODDT-UHFFFAOYSA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-Aminomethyl-1-ethylpyrrolidine
CID 117295
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
(S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione
CID 44328274
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
2-(2-Methylpyrrolidin-1-yl)ethan-1-amine
CID 15154301
2-(Cyclohexylamino)-1-(pyrrolidin-1-yl)ethanethione
CID 11736293
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624
(S)-(1-propylpyrrolidin-2-yl)methanamine
CID 12829005
[(2S)-1-butylpyrrolidin-2-yl]methanamine
CID 12829008
methyl[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]amine
CID 14804464
methyl({[(2S)-1-methylpyrrolidin-2-yl]methyl})amine
CID 45087357

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane?
The IUPAC name of 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane (CID 168883162) is 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane.
What is the SMILES notation for 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane?
The canonical SMILES for 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane is CC.CN(C)CC1NCCC1=S.
What is the InChIKey of 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane?
The InChIKey is BKWBFERUJCODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.C2H6/c1-9(2)5-6-7(10)3-4-8-6;1-2/h6,8H,3-5H2,1-2H3;1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane?
2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane has a molecular weight of 188.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane is sourced from PubChem (CID 168883162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).