(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid

C7H14N2S2 — CID 21115232

IUPAC(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
SMILESC[C@@H]1CN(C(=S)S)[C@@H](C)CN1
InChIInChI=1S/C7H14N2S2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyWZGAXFZTASRQJD-RITPCOANSA-N
MW190.34 g/mol
LogP0.88
Rot. Bonds

About (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid

(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid (PubChem CID 21115232) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
PubChem CID21115232
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
SMILESC[C@@H]1CN(C(=S)S)[C@@H](C)CN1
InChIInChI=1S/C7H14N2S2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyWZGAXFZTASRQJD-RITPCOANSA-N
XLogP0.88
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid 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

1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980051
butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 94984333
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
3-chloro-1-[(2R)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 155448457
2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]but-2-enediamide
CID 70403200
1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309302
1-(2,5-dimethylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 77052197
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid?
The IUPAC name of (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid (CID 21115232) is (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid.
What is the SMILES notation for (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid?
The canonical SMILES for (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid is C[C@@H]1CN(C(=S)S)[C@@H](C)CN1.
What is the InChIKey of (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid?
The InChIKey is WZGAXFZTASRQJD-RITPCOANSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid?
(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid has a molecular weight of 190.34 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid is sourced from PubChem (CID 21115232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).